1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

C13H22N2O — CID 10561007

IUPAC1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCC1CN(C2(C#N)CCCCC2)CCC1O
InChIInChI=1S/C13H22N2O/c1-11-9-15(8-5-12(11)16)13(10-14)6-3-2-4-7-13/h11-12,16H,2-9H2,1H3
InChIKeyWYQUSYXLDPQMSF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds1

About 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile

1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 10561007) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
PubChem CID10561007
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
SMILESCC1CN(C2(C#N)CCCCC2)CCC1O
InChIInChI=1S/C13H22N2O/c1-11-9-15(8-5-12(11)16)13(10-14)6-3-2-4-7-13/h11-12,16H,2-9H2,1H3
InChIKeyWYQUSYXLDPQMSF-UHFFFAOYSA-N
XLogP1.92
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile (CID 10561007) is 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is CC1CN(C2(C#N)CCCCC2)CCC1O.
What is the InChIKey of 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is WYQUSYXLDPQMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-9-15(8-5-12(11)16)13(10-14)6-3-2-4-7-13/h11-12,16H,2-9H2,1H3.
What are the key properties of 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile?
1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 222.33 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methylpiperidin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 10561007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).