2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol

C16H31NO — CID 114339739

IUPAC2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
SMILESCC(C)CCN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H31NO/c1-13(2)10-12-17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h13-16,18H,3-12H2,1-2H3
InChIKeyCHIXOCPJGLHXPA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds4

About 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol

2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol (PubChem CID 114339739) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
PubChem CID114339739
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
SMILESCC(C)CCN1CCCCC1C1CCCCC1O
InChIInChI=1S/C16H31NO/c1-13(2)10-12-17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h13-16,18H,3-12H2,1-2H3
InChIKeyCHIXOCPJGLHXPA-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-methylpropoxy)ethyl]piperidin-2-yl]cyclohexan-1-ol
CID 106460190
2-(1-ethylpiperidin-2-yl)cyclohexan-1-ol
CID 114339807
2-(1-octylpiperidin-2-yl)cyclohexan-1-ol
CID 114339769
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 114339958
2-[1-(3-methylsulfanylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339633
3-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114340046
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-[2-(2-hydroxycyclohexyl)piperidin-1-yl]acetonitrile
CID 114339805
2-[1-(3-hydroxy-2-methylpropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339118
2-[1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339524
2-[1-(2-hydroxy-2-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114497735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol (CID 114339739) is 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol is CC(C)CCN1CCCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol?
The InChIKey is CHIXOCPJGLHXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(2)10-12-17-11-6-5-8-15(17)14-7-3-4-9-16(14)18/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol?
2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutyl)piperidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).