1-benzyl-4-phenylpiperidine-4-carboxylic acid hydrate

1-benzyl-4-phenylpiperidine-4-carboxylic acid hydrate

CAS: 1609400-83-0

Formula: C19H23NO3

SMILES: O.OC(=O)C1(CCN(CC2=CC=CC=C2)CC1)C1=CC=CC=C1

IUPAC: 1-benzyl-4-phenylpiperidine-4-carboxylic acid hydrate

InChI: InChI=1S/C19H21NO2.H2O/c21-18(22)19(17-9-5-2-6-10-17)11-13-20(14-12-19)15-16-7-3-1-4-8-16;/h1-10H,11-15H2,(H,21,22);1H2

Composition: C (72.82%), H (7.40%), N (4.47%), O (15.32%)

Molar Mass: 313.397

Atom Count: 46

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	313.167793605
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GHXYMEKYDWLYGS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.58
Topological Polar Surface Area	40.54
Polarizability	34.13
Ring Count	3
Rotatable Bond Count	4

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95%	<4 Days	1609400-83-0		$58.65-$292.10$58.65$124.20$292.10