1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

CAS: 896046-70-1

Formula: C15H21NO4

SMILES: COC1=CC(OC)=C(CN2CCCC(C2)C(O)=O)C=C1

IUPAC: 1-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid

InChI: InChI=1/C15H21NO4/c1-19-13-6-5-11(14(8-13)20-2)9-16-7-3-4-12(10-16)15(17)18/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,17,18)

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DTBAUZPHOYRGMG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.75
Topological Polar Surface Area	59
Polarizability	29.57
Ring Count	2
Rotatable Bond Count	5

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