1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol

C41H68F3NO — CID 123676032

IUPAC1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCC1C=C(C2CC(C(O)CCC3CCC(CN4CCC(C(C)C)CC4)C(C(F)(F)F)C3)C=CC2C)CC2CCCCCC2CCC1
InChIInChI=1S/C41H68F3NO/c1-28(2)32-19-21-45(22-20-32)27-36-17-14-31(24-39(36)41(42,43)44)15-18-40(46)35-16-13-30(4)38(26-35)37-23-29(3)9-8-12-33-10-6-5-7-11-34(33)25-37/h13,16,23,28-36,38-40,46H,5-12,14-15,17-22,24-27H2,1-4H3
InChIKeyWWGCLEGQCLNGEE-UHFFFAOYSA-N
MW648.00 g/mol
LogP11.25
Rot. Bonds8

About 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol

1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 123676032) has the molecular formula C41H68F3NO and a molecular weight of 648.00 g/mol. Its IUPAC name is 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID123676032
Molecular FormulaC41H68F3NO
Molecular Weight648.00 g/mol
Exact Mass647.53
IUPAC Name1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCC1C=C(C2CC(C(O)CCC3CCC(CN4CCC(C(C)C)CC4)C(C(F)(F)F)C3)C=CC2C)CC2CCCCCC2CCC1
InChIInChI=1S/C41H68F3NO/c1-28(2)32-19-21-45(22-20-32)27-36-17-14-31(24-39(36)41(42,43)44)15-18-40(46)35-16-13-30(4)38(26-35)37-23-29(3)9-8-12-33-10-6-5-7-11-34(33)25-37/h13,16,23,28-36,38-40,46H,5-12,14-15,17-22,24-27H2,1-4H3
InChIKeyWWGCLEGQCLNGEE-UHFFFAOYSA-N
XLogP11.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.00
LogP ≤ 511.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]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

1-[3-(7-Cyclohexyl-3-methyl-2-methylidene-1,3,4,4a,5,6,7,8,9,9a-decahydrobenzo[7]annulen-4-yl)-4-methylcyclohexyl]-2-[4-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)cyclohex-2-en-1-yl]ethanol
CID 123161617
1-(3,4-Dimethylcyclohexyl)-2-[4-[2-(4-piperidin-1-ylcycloheptyl)ethyl]-3-(trifluoromethyl)cyclohexyl]prop-2-en-1-ol
CID 123368020
1-[3-[3,3-Difluoro-2-methyl-1-(7-methylcyclohepten-1-yl)propyl]-4-methylcyclohexyl]-2-[4-[[4-(4-ethylcyclohexyl)piperidin-1-yl]methyl]-3-(trifluoromethyl)cyclohexyl]prop-2-en-1-ol
CID 123378307
1-[4-methyl-3-(3-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-benzo[7]annulen-4-yl)cyclohexyl]-2-[4-[(4-methylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]prop-2-en-1-ol
CID 123987722

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 123676032) is 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol is CC1C=C(C2CC(C(O)CCC3CCC(CN4CCC(C(C)C)CC4)C(C(F)(F)F)C3)C=CC2C)CC2CCCCCC2CCC1.
What is the InChIKey of 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is WWGCLEGQCLNGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H68F3NO/c1-28(2)32-19-21-45(22-20-32)27-36-17-14-31(24-39(36)41(42,43)44)15-18-40(46)35-16-13-30(4)38(26-35)37-23-29(3)9-8-12-33-10-6-5-7-11-34(33)25-37/h13,16,23,28-36,38-40,46H,5-12,14-15,17-22,24-27H2,1-4H3.
What are the key properties of 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol?
1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 648.00 g/mol, XLogP of 11.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(5-methyl-3-bicyclo[7.5.0]tetradec-3-enyl)cyclohex-2-en-1-yl]-3-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 123676032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).