methyl 4-[(2S)-piperidin-2-yl]benzoate hydrochloride

methyl 4-[(2S)-piperidin-2-yl]benzoate hydrochloride

CAS: 1391547-09-3

Formula: C13H18ClNO2

SMILES: Cl.COC(=O)C1=CC=C(C=C1)[C@@H]1CCCCN1

IUPAC: methyl 4-[(2S)-piperidin-2-yl]benzoate hydrochloride

InChI: InChI=1S/C13H17NO2.ClH/c1-16-13(15)11-7-5-10(6-8-11)12-4-2-3-9-14-12;/h5-8,12,14H,2-4,9H2,1H3;1H/t12-;/m0./s1

Composition: C (61.05%), H (7.09%), Cl (13.86%), N (5.48%), O (12.51%)

Molar Mass: 255.74

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	255.1026065
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JHDNHEWPPXDXMA-YDALLXLXSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.14
Topological Polar Surface Area	38.33
Polarizability	24.75
Ring Count	2
Rotatable Bond Count	3

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