1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol

C36H41F2N3O — CID 3072766

IUPAC1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C36H41F2N3O/c37-32-17-13-30(14-18-32)36(31-15-19-33(38)20-16-31)12-7-21-39-22-24-40(25-23-39)27-35(42)28-41(34-10-5-2-6-11-34)26-29-8-3-1-4-9-29/h1-6,8-11,13-20,35-36,42H,7,12,21-28H2
InChIKeyQFSSEKVIZBZQMA-UHFFFAOYSA-N
MW569.74 g/mol
LogP6.56
Rot. Bonds13

About 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol

1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol (PubChem CID 3072766) has the molecular formula C36H41F2N3O and a molecular weight of 569.74 g/mol. Its IUPAC name is 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
PubChem CID3072766
Molecular FormulaC36H41F2N3O
Molecular Weight569.74 g/mol
Exact Mass569.32
IUPAC Name1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
SMILESOC(CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)CN(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C36H41F2N3O/c37-32-17-13-30(14-18-32)36(31-15-19-33(38)20-16-31)12-7-21-39-22-24-40(25-23-39)27-35(42)28-41(34-10-5-2-6-11-34)26-29-8-3-1-4-9-29/h1-6,8-11,13-20,35-36,42H,7,12,21-28H2
InChIKeyQFSSEKVIZBZQMA-UHFFFAOYSA-N
XLogP6.56
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.74
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-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

(2R)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 3072712
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-phenylpropylsulfanyl)propan-2-ol
CID 3072758
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(2-methoxyphenyl)sulfanylpropan-2-ol;dihydrochloride
CID 3072729
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 3072724
2-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 14574910
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-methoxyphenyl)sulfanylpropan-2-ol
CID 3072736
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
2-[1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl]oxyacetic acid
CID 3072774
4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoic acid
CID 22180536
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(2,6-dimethylphenyl)propan-2-one
CID 134832953

Frequently Asked Questions

What is the IUPAC name of 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol (CID 3072766) is 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol is OC(CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)CN(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
The InChIKey is QFSSEKVIZBZQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41F2N3O/c37-32-17-13-30(14-18-32)36(31-15-19-33(38)20-16-31)12-7-21-39-22-24-40(25-23-39)27-35(42)28-41(34-10-5-2-6-11-34)26-29-8-3-1-4-9-29/h1-6,8-11,13-20,35-36,42H,7,12,21-28H2.
What are the key properties of 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol has a molecular weight of 569.74 g/mol, XLogP of 6.56, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-benzylanilino)-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3072766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).