1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile

C14H24N2O — CID 113362979

IUPAC1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C14H24N2O/c1-13(11-15)7-9-16(10-8-13)12-14(17)5-3-2-4-6-14/h17H,2-10,12H2,1H3
InChIKeyPPDIPIXLCFWPFH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds2

About 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile

1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile (PubChem CID 113362979) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
PubChem CID113362979
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile
SMILESCC1(C#N)CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C14H24N2O/c1-13(11-15)7-9-16(10-8-13)12-14(17)5-3-2-4-6-14/h17H,2-10,12H2,1H3
InChIKeyPPDIPIXLCFWPFH-UHFFFAOYSA-N
XLogP2.31
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexan-1-ol
CID 107271986
1-[(4-ethylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 60723383
1-[(3,3-dimethylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 115825265
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpiperidine-4-carbonitrile
CID 107160820
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]butanenitrile
CID 65213503
1-[(4,4-dimethylpiperidin-1-yl)methyl]cyclopropan-1-ol;ethane
CID 144941400
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
1-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110932660
1-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 63632763
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
2-[4-[(1-hydroxycyclopentyl)methyl]piperazin-1-yl]pentanenitrile
CID 65211110

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile (CID 113362979) is 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile is CC1(C#N)CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile?
The InChIKey is PPDIPIXLCFWPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(11-15)7-9-16(10-8-13)12-14(17)5-3-2-4-6-14/h17H,2-10,12H2,1H3.
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile?
1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-4-methylpiperidine-4-carbonitrile is sourced from PubChem (CID 113362979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).