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

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

CAS: 1391574-76-7

Formula: C13H18ClNO2

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

IUPAC: methyl 4-[(2R)-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-;/m1./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-UTONKHPSSA-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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