1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol

C17H31NO — CID 157039266

IUPAC1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
SMILESC=C1CC(C)CC(CCCCN2CCC(O)CC2)C1
InChIInChI=1S/C17H31NO/c1-14-11-15(2)13-16(12-14)5-3-4-8-18-9-6-17(19)7-10-18/h15-17,19H,1,3-13H2,2H3
InChIKeyAJHSBMCCJKTLPY-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol

1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol (PubChem CID 157039266) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
PubChem CID157039266
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
SMILESC=C1CC(C)CC(CCCCN2CCC(O)CC2)C1
InChIInChI=1S/C17H31NO/c1-14-11-15(2)13-16(12-14)5-3-4-8-18-9-6-17(19)7-10-18/h15-17,19H,1,3-13H2,2H3
InChIKeyAJHSBMCCJKTLPY-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[[(3R,5S)-3-ethyl-5-methylcyclohexyl]methyl]piperidin-4-ol
CID 58829021
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
2-Methyl-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 155721116
1-[(4-Ethenylcyclohexyl)methyl]piperidin-4-ol
CID 157039300
2-(Hydroxymethyl)-1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol
CID 157039573
1-[[4-[(4-Propylcyclohexyl)methyl]cyclohept-4-en-1-yl]methyl]piperidin-4-ol
CID 175622917
4-(Hydroxyiodanuidylmethoxy)-1-[(4-prop-1-en-2-ylcyclohexyl)methyl]piperidine
CID 177959026
1-[(3-Ethylcyclohexyl)methyl]piperidin-4-ol
CID 104517038
2-[1-(2-Methylidenebutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339841
2-[1-(3-Methylbut-3-enyl)piperidin-2-yl]cyclohexan-1-ol
CID 114478099
3-Ethyl-1-(3-methylbut-3-enyl)piperidin-4-ol
CID 114510855

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The IUPAC name of 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol (CID 157039266) is 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol is C=C1CC(C)CC(CCCCN2CCC(O)CC2)C1.
What is the InChIKey of 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
The InChIKey is AJHSBMCCJKTLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-14-11-15(2)13-16(12-14)5-3-4-8-18-9-6-17(19)7-10-18/h15-17,19H,1,3-13H2,2H3.
What are the key properties of 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol?
1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol has a molecular weight of 265.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-5-methylidenecyclohexyl)butyl]piperidin-4-ol is sourced from PubChem (CID 157039266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).