1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol

C20H37NO — CID 90927478

IUPAC1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol
SMILESC=C(CC1CCC(CCC)C(C(O)CC)C1)C1CCCNC1
InChIInChI=1S/C20H37NO/c1-4-7-17-10-9-16(13-19(17)20(22)5-2)12-15(3)18-8-6-11-21-14-18/h16-22H,3-14H2,1-2H3
InChIKeyMNPJGIKKVDEIJM-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.54
Rot. Bonds7

About 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol

1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol (PubChem CID 90927478) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol
PubChem CID90927478
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol
SMILESC=C(CC1CCC(CCC)C(C(O)CC)C1)C1CCCNC1
InChIInChI=1S/C20H37NO/c1-4-7-17-10-9-16(13-19(17)20(22)5-2)12-15(3)18-8-6-11-21-14-18/h16-22H,3-14H2,1-2H3
InChIKeyMNPJGIKKVDEIJM-UHFFFAOYSA-N
XLogP4.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-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

(1S)-3-[(5R)-5-ethylcyclohexen-1-yl]-1-[4-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70325290
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
Acetaldehyde;ethane;3-ethyl-2-prop-1-en-2-yl-4-propylcyclohexan-1-ol;piperidine
CID 145096142
2-Butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
CID 155323889

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol?
The IUPAC name of 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol (CID 90927478) is 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol.
What is the SMILES notation for 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol?
The canonical SMILES for 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol is C=C(CC1CCC(CCC)C(C(O)CC)C1)C1CCCNC1.
What is the InChIKey of 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol?
The InChIKey is MNPJGIKKVDEIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-4-7-17-10-9-16(13-19(17)20(22)5-2)12-15(3)18-8-6-11-21-14-18/h16-22H,3-14H2,1-2H3.
What are the key properties of 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol?
1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol has a molecular weight of 307.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-piperidin-3-ylprop-2-enyl)-2-propylcyclohexyl]propan-1-ol is sourced from PubChem (CID 90927478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).