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

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

CAS: 1213455-84-5

Formula: C13H17NO2

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

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

InChI: InChI=1S/C13H17NO2/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/t12-/m0/s1

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	1
Exact Mass	219.125928791
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MCVNPUNNHRUTMY-LBPRGKRZSA-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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