1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol

C16H31NO — CID 114337931

IUPAC1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C16H31NO/c1-12-8-13(2)10-16(9-12)17-7-5-4-6-15(17)11-14(3)18/h12-16,18H,4-11H2,1-3H3
InChIKeyVRQGAADSQCEOIW-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.44
Rot. Bonds3

About 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol

1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol (PubChem CID 114337931) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol
PubChem CID114337931
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1C1CC(C)CC(C)C1
InChIInChI=1S/C16H31NO/c1-12-8-13(2)10-16(9-12)17-7-5-4-6-15(17)11-14(3)18/h12-16,18H,4-11H2,1-3H3
InChIKeyVRQGAADSQCEOIW-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

N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
CID 64731145
1-[1-(3-methoxycyclohexyl)piperidin-2-yl]propan-2-ol
CID 114338065
3-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propanoic acid
CID 64730669
2-[2-(2-hydroxypropyl)piperidin-1-yl]cyclopentan-1-ol
CID 114338292
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64730948
1-[1-(2-ethylcyclohexyl)azepan-2-yl]propan-2-ol
CID 114338744
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
4-[2-(2-hydroxypropyl)piperidin-1-yl]-1,1-dioxothiolan-3-ol
CID 114337919
1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]-N-methylethanamine
CID 64737654
3-[1-[3-(2-methylpropyl)cyclohexyl]piperidin-2-yl]propanoic acid
CID 107430428
1-[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]propan-2-ol
CID 114338570

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol (CID 114337931) is 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1C1CC(C)CC(C)C1.
What is the InChIKey of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol?
The InChIKey is VRQGAADSQCEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12-8-13(2)10-16(9-12)17-7-5-4-6-15(17)11-14(3)18/h12-16,18H,4-11H2,1-3H3.
What are the key properties of 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol?
1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-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 1-[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114337931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).