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2D Structure
Also known as: 3967-32-6, 5-(1-methyl-4-piperidyl)5h-dibenzo, 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol, 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol, 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-, 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-
Molecular Formula
C21H23NO
Molecular Weight
305.4  g/mol
InChI Key
NPSCPXDYXVEYQW-UHFFFAOYSA-N
FDA UNII
FW58SL2OZQ

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
2.1.2 InChI
InChI=1S/C21H23NO/c1-22-14-12-18(13-15-22)21(23)19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11,18,23H,12-15H2,1H3
2.1.3 InChI Key
NPSCPXDYXVEYQW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1CCC(CC1)C2(C3=CC=CC=C3C=CC4=CC=CC=C42)O
2.2 Other Identifiers
2.2.1 UNII
FW58SL2OZQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3967-32-6

2. 5-(1-methyl-4-piperidyl)5h-dibenzo

3. 5-(1-methyl-4-piperidinyl)-5h-dibenzo[a,d]cyclohepten-5-ol

4. 2-(1-methylpiperidin-4-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

5. 5h-dibenzo[a,d]cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

6. 5h-dibenzo(a,d)cyclohepten-5-ol, 5-(1-methyl-4-piperidinyl)-

7. Fw58sl2ozq

8. Dtxsid20863311

9. Zinc33985905

10. Cyproheptadine Related Compound C

11. Ft-0778032

12. Cyproheptadine Related Compound C [usp-rs]

13. Cyproheptadine Related Compound C [usp Impurity]

14. 5-(1-methyl-piperidin-4-yl)-5h-dibenzo(a,d)cyclohepten-5-ol

2.4 Create Date
2006-04-29
3 Chemical and Physical Properties
Molecular Weight 305.4 g/mol
Molecular Formula C21H23NO
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass305.177964357 g/mol
Monoisotopic Mass305.177964357 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1