1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

CAS: 775271-42-6

Formula: C14H19NO3

SMILES: COC1=CC=C(CN2CCCCC2C(O)=O)C=C1

IUPAC: 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid

InChI: InChI=1/C14H19NO3/c1-18-12-7-5-11(6-8-12)10-15-9-3-2-4-13(15)14(16)17/h5-8,13H,2-4,9-10H2,1H3,(H,16,17)

Composition: C (67.45%), H (7.68%), N (5.62%), O (19.25%)

Molar Mass: 249.31

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	249.136493476
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VHKOUIFYHWLPHA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.04
Topological Polar Surface Area	49.77
Polarizability	27.04
Ring Count	2
Rotatable Bond Count	4

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