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2D Structure
Also known as: 84449-81-0, 4-(2-(1-piperidino)ethoxy)benzoic acid hcl, Schembl226627, Whkjlxlfqnxnnr-uhfffaoysa-n, Benzoyl chloride, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride, Mfcd03425388
Molecular Formula
C14H19Cl2NO2
Molecular Weight
304.2  g/mol
InChI Key
WHKJLXLFQNXNNR-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-piperidin-1-ylethoxy)benzoyl chloride;hydrochloride
2.1.2 InChI
InChI=1S/C14H18ClNO2.ClH/c15-14(17)12-4-6-13(7-5-12)18-11-10-16-8-2-1-3-9-16;/h4-7H,1-3,8-11H2;1H
2.1.3 InChI Key
WHKJLXLFQNXNNR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 84449-81-0

2. 4-(2-(1-piperidino)ethoxy)benzoic Acid Hcl

3. Schembl226627

4. Whkjlxlfqnxnnr-uhfffaoysa-n

5. Benzoyl Chloride, 4-[2-(1-piperidinyl)ethoxy]-, Hydrochloride

6. Mfcd03425388

7. Mfcd09907602

8. At22331

9. Sy308933

10. 4-(2-piperidinoethoxy)benzoyl Chloride, Hydrochloride

11. 4-(2-piperidin-1-ylethoxy)benzoyl Chloride;hydrochloride

12. 4-[2-(1-piperidyl)ethoxy]benzoyl Chloride Hydrochloride

13. 4-(2-piperidin-1-yl-ethoxy)-benzoyl Chloride Hydrochloride

14. 4-(2-piperidine-1-ylethoxy)benzoyl Chloride Hydrochloride

15. 4-(2-(piperidin-1-yl)ethoxy)benzoyl Chloride Hydrochloride

2.3 Create Date
2007-06-18
3 Chemical and Physical Properties
Molecular Weight 304.2 g/mol
Molecular Formula C14H19Cl2NO2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area29.5
Heavy Atom Count19
Formal Charge0
Complexity259
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2