1-(4-aminophenyl)piperidine-3-carboxylic acid

1-(4-aminophenyl)piperidine-3-carboxylic acid

CAS: 1177345-22-0

Formula: C12H16N2O2

SMILES: NC1=CC=C(C=C1)N1CCCC(C1)C(O)=O

IUPAC: 1-(4-aminophenyl)piperidine-3-carboxylic acid

InChI: InChI=1/C12H16N2O2/c13-10-3-5-11(6-4-10)14-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,13H2,(H,15,16)

Composition: C (65.43%), H (7.32%), N (12.72%), O (14.53%)

Molar Mass: 220.272

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	220.121177763
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RHFGGTHQZGSMPS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.41
Topological Polar Surface Area	66.56
Polarizability	23.45
Ring Count	2
Rotatable Bond Count	2

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