3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

C16H31NO — CID 165490876

IUPAC3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-12(2)14-6-5-13(18)11-15(14)17-9-7-16(3,4)8-10-17/h12-15,18H,5-11H2,1-4H3
InChIKeyPNNQFVCVWFPBFV-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.29
Rot. Bonds2

About 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490876) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490876
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCC(C)(C)CC1
InChIInChI=1S/C16H31NO/c1-12(2)14-6-5-13(18)11-15(14)17-9-7-16(3,4)8-10-17/h12-15,18H,5-11H2,1-4H3
InChIKeyPNNQFVCVWFPBFV-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 165490876) is 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N1CCC(C)(C)CC1.
What is the InChIKey of 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is PNNQFVCVWFPBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)14-6-5-13(18)11-15(14)17-9-7-16(3,4)8-10-17/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 253.43 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).