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1-(pyridine-2-carbonyl)piperidine-4-carboxylic acid

1-(pyridine-2-carbonyl)piperidine-4-carboxylic acid

CAS: 67691-62-7

Formula: C12H14N2O3

SMILES: OC(=O)C1CCN(CC1)C(=O)C1=NC=CC=C1

IUPAC: 1-(pyridine-2-carbonyl)piperidine-4-carboxylic acid

InChI: InChI=1S/C12H14N2O3/c15-11(10-3-1-2-6-13-10)14-7-4-9(5-8-14)12(16)17/h1-3,6,9H,4-5,7-8H2,(H,16,17)

Composition: C (61.53%), H (6.02%), N (11.96%), O (20.49%)

Molar Mass: 234.255

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.100442319
Formal Charge 0
FSP3 0.42
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YXSXPCQHCMZSDE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.78
Topological Polar Surface Area 70.5
Polarizability 23.16
Ring Count 2
Rotatable Bond Count 2

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