1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol

C22H28ClFN2O — CID 10126572

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1cccc(F)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClFN2O/c1-3-22(27,18-6-4-8-20(24)14-18)17(2)16-25-10-12-26(13-11-25)21-9-5-7-19(23)15-21/h4-9,14-15,17,27H,3,10-13,16H2,1-2H3
InChIKeyORFHXAONEQMRCI-UHFFFAOYSA-N
MW390.93 g/mol
LogP4.53
Rot. Bonds6

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol

1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol (PubChem CID 10126572) has the molecular formula C22H28ClFN2O and a molecular weight of 390.93 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol
PubChem CID10126572
Molecular FormulaC22H28ClFN2O
Molecular Weight390.93 g/mol
Exact Mass390.19
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol
SMILESCCC(O)(c1cccc(F)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H28ClFN2O/c1-3-22(27,18-6-4-8-20(24)14-18)17(2)16-25-10-12-26(13-11-25)21-9-5-7-19(23)15-21/h4-9,14-15,17,27H,3,10-13,16H2,1-2H3
InChIKeyORFHXAONEQMRCI-UHFFFAOYSA-N
XLogP4.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-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-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-2-methylpentan-3-ol
CID 10194338
3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
CID 10310023
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-amine
CID 79810940
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-amino-3-[4-(3-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 82298497
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549919
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(1-phenylpropoxy)propan-2-ol;dihydrochloride
CID 45126159

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol (CID 10126572) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol is CCC(O)(c1cccc(F)c1)C(C)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol?
The InChIKey is ORFHXAONEQMRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClFN2O/c1-3-22(27,18-6-4-8-20(24)14-18)17(2)16-25-10-12-26(13-11-25)21-9-5-7-19(23)15-21/h4-9,14-15,17,27H,3,10-13,16H2,1-2H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol?
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol has a molecular weight of 390.93 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpentan-3-ol is sourced from PubChem (CID 10126572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).