1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile

C13H22N2O — CID 10846697

IUPAC1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCC(CO)C2)CCCCC1
InChIInChI=1S/C13H22N2O/c14-11-13(6-2-1-3-7-13)15-8-4-5-12(9-15)10-16/h12,16H,1-10H2
InChIKeyPJZKAQCHVCTVHZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.92
Rot. Bonds2

About 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile

1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile (PubChem CID 10846697) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
PubChem CID10846697
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile
SMILESN#CC1(N2CCCC(CO)C2)CCCCC1
InChIInChI=1S/C13H22N2O/c14-11-13(6-2-1-3-7-13)15-8-4-5-12(9-15)10-16/h12,16H,1-10H2
InChIKeyPJZKAQCHVCTVHZ-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile (CID 10846697) is 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile is N#CC1(N2CCCC(CO)C2)CCCCC1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
The InChIKey is PJZKAQCHVCTVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-11-13(6-2-1-3-7-13)15-8-4-5-12(9-15)10-16/h12,16H,1-10H2.
What are the key properties of 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile?
1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile 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 1-[3-(hydroxymethyl)piperidin-1-yl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 10846697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).