3-(4-benzylpiperidin-1-yl)propanoic acid

3-(4-benzylpiperidin-1-yl)propanoic acid

CAS: 435270-83-0

Formula: C15H21NO2

SMILES: OC(=O)CCN1CCC(CC2=CC=CC=C2)CC1

IUPAC: 3-(4-benzylpiperidin-1-yl)propanoic acid

InChI: InChI=1S/C15H21NO2/c17-15(18)8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18)

Composition: C (72.84%), H (8.56%), N (5.66%), O (12.94%)

Molar Mass: 247.338

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.15722892
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ITMUQTABMZRAAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.16
Topological Polar Surface Area	40.54
Polarizability	28.13
Ring Count	2
Rotatable Bond Count	5

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