1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzylpiperidin-4-amine

2.1.2 InChI

InChI=1S/C12H18N2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-5,12-14H,6-10H2

2.1.3 InChI Key

HUJYJEPNVYXEND-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCC1NCC2=CC=CC=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 420136-94-3

2. 4-(benzylamino)piperidine

3. N-benzyl-4-piperidinamine 2hcl

4. 4-benzylaminopiperidine

5. 4-(benzyl)amino Piperidine

6. Schembl658055

7. Chembl4576420

8. Dtxsid20388493

9. Zinc33506778

10. Akos010243310

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈N₂
Molecular Weight	190.28 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.146998583 g/mol
Monoisotopic Mass	190.146998583 g/mol
Topological Polar Surface Area	24.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	146
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 420136-94-3