2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol

C16H31NO — CID 79045834

IUPAC2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
SMILESCC1CCCC(C(O)C(C)(C)N2CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-13-8-7-9-14(12-13)15(18)16(2,3)17-10-5-4-6-11-17/h13-15,18H,4-12H2,1-3H3
InChIKeyXPDPPGJGPUGLOM-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds3

About 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol

2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol (PubChem CID 79045834) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
PubChem CID79045834
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol
SMILESCC1CCCC(C(O)C(C)(C)N2CCCCC2)C1
InChIInChI=1S/C16H31NO/c1-13-8-7-9-14(12-13)15(18)16(2,3)17-10-5-4-6-11-17/h13-15,18H,4-12H2,1-3H3
InChIKeyXPDPPGJGPUGLOM-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-cycloheptyl-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
CID 82932578
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-ol
CID 79064908
2-(azepan-1-yl)-1-cyclopropyl-2-methylpropan-1-ol
CID 79052130
[2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropyl]hydrazine
CID 105239825
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
2-methyl-1-(3-methylcyclohexyl)-2-methylsulfonylpropan-1-ol
CID 115808259
2-ethyl-1-(3-methylcyclohexyl)butane-1,2-diol
CID 103449271
[2-(azepan-1-yl)-1-cyclobutyl-2-methylpropyl]hydrazine
CID 105240404
N-ethyl-2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79060672
N,2-dimethyl-1-(3-methylcyclohexyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069582
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79921120
2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 79920933

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol?
The IUPAC name of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol (CID 79045834) is 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol is CC1CCCC(C(O)C(C)(C)N2CCCCC2)C1.
What is the InChIKey of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol?
The InChIKey is XPDPPGJGPUGLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13-8-7-9-14(12-13)15(18)16(2,3)17-10-5-4-6-11-17/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol?
2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylcyclohexyl)-2-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 79045834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).