3-(3-cyanophenyl)piperidine-3-carboxylic acid

C13H14N2O2 — CID 117050284

IUPAC3-(3-cyanophenyl)piperidine-3-carboxylic acid
SMILESN#Cc1cccc(C2(C(=O)O)CCCNC2)c1
InChIInChI=1S/C13H14N2O2/c14-8-10-3-1-4-11(7-10)13(12(16)17)5-2-6-15-9-13/h1,3-4,7,15H,2,5-6,9H2,(H,16,17)
InChIKeyZNKJONCQNKJWNW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.26
Rot. Bonds2

About 3-(3-cyanophenyl)piperidine-3-carboxylic acid

3-(3-cyanophenyl)piperidine-3-carboxylic acid (PubChem CID 117050284) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(3-cyanophenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyanophenyl)piperidine-3-carboxylic acid
PubChem CID117050284
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(3-cyanophenyl)piperidine-3-carboxylic acid
SMILESN#Cc1cccc(C2(C(=O)O)CCCNC2)c1
InChIInChI=1S/C13H14N2O2/c14-8-10-3-1-4-11(7-10)13(12(16)17)5-2-6-15-9-13/h1,3-4,7,15H,2,5-6,9H2,(H,16,17)
InChIKeyZNKJONCQNKJWNW-UHFFFAOYSA-N
XLogP1.26
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyanophenyl)cyclohexane-1-carboxylic acid
CID 117330593
3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
3-(1-hydroxycyclobutyl)benzonitrile
CID 141367616
3-(1-methylcyclopentyl)benzonitrile
CID 23371913
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
3-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 117050181
(4-phenylpiperidin-4-yl) 3-cyanobenzoate
CID 170255790
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
1-[3-(3-sulfanylprop-1-ynyl)phenyl]cyclopropane-1-carboxylic acid
CID 169487328
1-(3-cyanophenyl)-N-[(5-oxo-1,2-dihydropyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 138006308

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(3-cyanophenyl)piperidine-3-carboxylic acid (CID 117050284) is 3-(3-cyanophenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-cyanophenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(3-cyanophenyl)piperidine-3-carboxylic acid is N#Cc1cccc(C2(C(=O)O)CCCNC2)c1.
What is the InChIKey of 3-(3-cyanophenyl)piperidine-3-carboxylic acid?
The InChIKey is ZNKJONCQNKJWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-8-10-3-1-4-11(7-10)13(12(16)17)5-2-6-15-9-13/h1,3-4,7,15H,2,5-6,9H2,(H,16,17).
What are the key properties of 3-(3-cyanophenyl)piperidine-3-carboxylic acid?
3-(3-cyanophenyl)piperidine-3-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyanophenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117050284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).