2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile

C13H22N2O — CID 114339805

IUPAC2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCCC1C1CCCCC1O
InChIInChI=1S/C13H22N2O/c14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16/h11-13,16H,1-7,9-10H2
InChIKeyFDBAMACPATTXIL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds2

About 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile

2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile (PubChem CID 114339805) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
PubChem CID114339805
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
SMILESN#CCN1CCCCC1C1CCCCC1O
InChIInChI=1S/C13H22N2O/c14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16/h11-13,16H,1-7,9-10H2
InChIKeyFDBAMACPATTXIL-UHFFFAOYSA-N
XLogP1.92
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
4-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 114340274
2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339767
2-[1-(cyclohexylmethyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339715
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339739
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
2-[1-(2-hydroxy-2-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114497735
2-[1-(oxolan-2-ylmethyl)piperidin-2-yl]cyclopentan-1-ol
CID 114340035
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 114339958
N-ethyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340200
2-fluoro-5-[[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480461
2-fluoro-5-[[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 129480463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile (CID 114339805) is 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile is N#CCN1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile?
The InChIKey is FDBAMACPATTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-10-15-9-4-3-6-12(15)11-5-1-2-7-13(11)16/h11-13,16H,1-7,9-10H2.
What are the key properties of 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile?
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile has a molecular weight of 222.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 114339805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).