6-(3-hydroxyphenyl)piperidine-2-carbonitrile

C12H14N2O — CID 117168197

IUPAC6-(3-hydroxyphenyl)piperidine-2-carbonitrile
SMILESN#CC1CCCC(c2cccc(O)c2)N1
InChIInChI=1S/C12H14N2O/c13-8-10-4-2-6-12(14-10)9-3-1-5-11(15)7-9/h1,3,5,7,10,12,14-15H,2,4,6H2
InChIKeyRFXZJGFFHCGFPU-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.10
Rot. Bonds1

About 6-(3-hydroxyphenyl)piperidine-2-carbonitrile

6-(3-hydroxyphenyl)piperidine-2-carbonitrile (PubChem CID 117168197) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)piperidine-2-carbonitrile
PubChem CID117168197
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name6-(3-hydroxyphenyl)piperidine-2-carbonitrile
SMILESN#CC1CCCC(c2cccc(O)c2)N1
InChIInChI=1S/C12H14N2O/c13-8-10-4-2-6-12(14-10)9-3-1-5-11(15)7-9/h1,3,5,7,10,12,14-15H,2,4,6H2
InChIKeyRFXZJGFFHCGFPU-UHFFFAOYSA-N
XLogP2.10
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-piperidin-2-yl]phenol
CID 55277853
6-(2-fluorophenyl)piperidine-2-carbonitrile
CID 117168253
3-cyclohexylphenol
CID 16036
(4R)-4-(3-hydroxyphenyl)imidazolidin-2-one
CID 131198796
3-(3-chloro-4,5-dihydro-1H-pyrazol-5-yl)phenol
CID 84667219
4-(3-hydroxyphenyl)-1,3-diazinan-2-one
CID 105445856
3-pyrrolidin-3-ylphenol
CID 12937992
3-[(4R)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl]phenol
CID 40637861
3-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 54021474
3-(8-azabicyclo[3.2.1]octan-3-yl)phenol;hydrobromide
CID 67026991
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
2-[6-(3-hydroxyphenyl)cyclohexen-1-yl]acetonitrile
CID 170752350

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)piperidine-2-carbonitrile?
The IUPAC name of 6-(3-hydroxyphenyl)piperidine-2-carbonitrile (CID 117168197) is 6-(3-hydroxyphenyl)piperidine-2-carbonitrile.
What is the SMILES notation for 6-(3-hydroxyphenyl)piperidine-2-carbonitrile?
The canonical SMILES for 6-(3-hydroxyphenyl)piperidine-2-carbonitrile is N#CC1CCCC(c2cccc(O)c2)N1.
What is the InChIKey of 6-(3-hydroxyphenyl)piperidine-2-carbonitrile?
The InChIKey is RFXZJGFFHCGFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-8-10-4-2-6-12(14-10)9-3-1-5-11(15)7-9/h1,3,5,7,10,12,14-15H,2,4,6H2.
What are the key properties of 6-(3-hydroxyphenyl)piperidine-2-carbonitrile?
6-(3-hydroxyphenyl)piperidine-2-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)piperidine-2-carbonitrile is sourced from PubChem (CID 117168197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).