4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol

C16H31NO — CID 23388590

IUPAC4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C16H31NO/c1-15(2,18)8-9-16(10-12-17-13-11-16)14-6-4-3-5-7-14/h14,17-18H,3-13H2,1-2H3
InChIKeyDEMMCXGVYAQKOG-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.49
Rot. Bonds4

About 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol

4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol (PubChem CID 23388590) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol
PubChem CID23388590
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C16H31NO/c1-15(2,18)8-9-16(10-12-17-13-11-16)14-6-4-3-5-7-14/h14,17-18H,3-13H2,1-2H3
InChIKeyDEMMCXGVYAQKOG-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol (CID 23388590) is 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol is CC(C)(O)CCC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol?
The InChIKey is DEMMCXGVYAQKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,18)8-9-16(10-12-17-13-11-16)14-6-4-3-5-7-14/h14,17-18H,3-13H2,1-2H3.
What are the key properties of 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol?
4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol has a molecular weight of 253.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperidin-4-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 23388590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).