2-(piperidin-1-ylmethyl)benzoic acid

2-(piperidin-1-ylmethyl)benzoic acid

CAS: 917747-57-0

Formula: C13H17NO2

SMILES: OC(=O)C1=C(CN2CCCCC2)C=CC=C1

IUPAC: 2-[(piperidin-1-yl)methyl]benzoic acid

InChI: InChI=1S/C13H17NO2/c15-13(16)12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16)

Composition: C (71.21%), H (7.81%), N (6.39%), O (14.59%)

Molar Mass: 219.284

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.125928791
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SETGNIQLYMGVGH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64
Topological Polar Surface Area	40.54
Polarizability	24.49
Ring Count	2
Rotatable Bond Count	3

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