3-anilinopiperidine-3-carboxylic acid

C12H16N2O2 — CID 131691987

IUPAC3-anilinopiperidine-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2)CCCNC1
InChIInChI=1S/C12H16N2O2/c15-11(16)12(7-4-8-13-9-12)14-10-5-2-1-3-6-10/h1-3,5-6,13-14H,4,7-9H2,(H,15,16)
InChIKeyRSWKEOQFASHXNL-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds3

About 3-anilinopiperidine-3-carboxylic acid

3-anilinopiperidine-3-carboxylic acid (PubChem CID 131691987) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-anilinopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-anilinopiperidine-3-carboxylic acid
PubChem CID131691987
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-anilinopiperidine-3-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2)CCCNC1
InChIInChI=1S/C12H16N2O2/c15-11(16)12(7-4-8-13-9-12)14-10-5-2-1-3-6-10/h1-3,5-6,13-14H,4,7-9H2,(H,15,16)
InChIKeyRSWKEOQFASHXNL-UHFFFAOYSA-N
XLogP1.31
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloroanilino)piperidine-3-carboxamide
CID 79308455
3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
1-(pyridin-4-ylamino)cyclohexane-1-carboxylic acid
CID 61290842
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
CID 103439482
1-(4-ethylanilino)cyclohexane-1-carboxylic acid
CID 71564845
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
4-anilino-N-benzylpiperidine-4-carboxamide
CID 53444066
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
CID 79308057

Frequently Asked Questions

What is the IUPAC name of 3-anilinopiperidine-3-carboxylic acid?
The IUPAC name of 3-anilinopiperidine-3-carboxylic acid (CID 131691987) is 3-anilinopiperidine-3-carboxylic acid.
What is the SMILES notation for 3-anilinopiperidine-3-carboxylic acid?
The canonical SMILES for 3-anilinopiperidine-3-carboxylic acid is O=C(O)C1(Nc2ccccc2)CCCNC1.
What is the InChIKey of 3-anilinopiperidine-3-carboxylic acid?
The InChIKey is RSWKEOQFASHXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(16)12(7-4-8-13-9-12)14-10-5-2-1-3-6-10/h1-3,5-6,13-14H,4,7-9H2,(H,15,16).
What are the key properties of 3-anilinopiperidine-3-carboxylic acid?
3-anilinopiperidine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilinopiperidine-3-carboxylic acid is sourced from PubChem (CID 131691987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).