1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine

C29H41FN2O2 — CID 10344578

IUPAC1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
SMILESCCOC(C1CCCCC1)C(CCN1CCN(c2ccc(F)cc2OC)CC1)c1ccccc1
InChIInChI=1S/C29H41FN2O2/c1-3-34-29(24-12-8-5-9-13-24)26(23-10-6-4-7-11-23)16-17-31-18-20-32(21-19-31)27-15-14-25(30)22-28(27)33-2/h4,6-7,10-11,14-15,22,24,26,29H,3,5,8-9,12-13,16-21H2,1-2H3
InChIKeyGZSCZBXPXMPNNZ-UHFFFAOYSA-N
MW468.66 g/mol
LogP6.12
Rot. Bonds10

About 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine

1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine (PubChem CID 10344578) has the molecular formula C29H41FN2O2 and a molecular weight of 468.66 g/mol. Its IUPAC name is 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
PubChem CID10344578
Molecular FormulaC29H41FN2O2
Molecular Weight468.66 g/mol
Exact Mass468.32
IUPAC Name1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
SMILESCCOC(C1CCCCC1)C(CCN1CCN(c2ccc(F)cc2OC)CC1)c1ccccc1
InChIInChI=1S/C29H41FN2O2/c1-3-34-29(24-12-8-5-9-13-24)26(23-10-6-4-7-11-23)16-17-31-18-20-32(21-19-31)27-15-14-25(30)22-28(27)33-2/h4,6-7,10-11,14-15,22,24,26,29H,3,5,8-9,12-13,16-21H2,1-2H3
InChIKeyGZSCZBXPXMPNNZ-UHFFFAOYSA-N
XLogP6.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine 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-(4-cyclohexyl-3-phenyl-4-prop-2-enoxybutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine
CID 10457886
1-cyclohexyl-2-(2-fluorophenyl)-N-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 24901268
O-[1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl] N-methylcarbamothioate
CID 10029443
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
N-[(1S,2R)-1-cyclohexyl-2-(2-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]acetamide
CID 24900672
(2R)-1-(8-azabicyclo[3.2.1]octan-8-yl)-4-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 22870578
N-[cyclohexyl(phenyl)methyl]-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 14208395
1-cyclohexyl-2-(2-fluorophenyl)-N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 69453403
1-cyclohexyl-4-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one;dihydrochloride
CID 22244113
N-ethyl-1-(4-fluoro-2-methoxyphenyl)piperidin-4-amine
CID 54967542
1-(2-methoxyphenyl)-4-[3-(3-methyl-5-propan-2-ylphenoxy)-3-phenylpropyl]piperazine
CID 46068807
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 10692180

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine?
The IUPAC name of 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine (CID 10344578) is 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine is CCOC(C1CCCCC1)C(CCN1CCN(c2ccc(F)cc2OC)CC1)c1ccccc1.
What is the InChIKey of 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine?
The InChIKey is GZSCZBXPXMPNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41FN2O2/c1-3-34-29(24-12-8-5-9-13-24)26(23-10-6-4-7-11-23)16-17-31-18-20-32(21-19-31)27-15-14-25(30)22-28(27)33-2/h4,6-7,10-11,14-15,22,24,26,29H,3,5,8-9,12-13,16-21H2,1-2H3.
What are the key properties of 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine?
1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine has a molecular weight of 468.66 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyl-4-ethoxy-3-phenylbutyl)-4-(4-fluoro-2-methoxyphenyl)piperazine is sourced from PubChem (CID 10344578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).