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

C29H35F2N3O — CID 3072701

IUPAC1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H35F2N3O/c30-25-12-8-23(9-13-25)29(24-10-14-26(31)15-11-24)7-4-16-33-17-19-34(20-18-33)22-28(35)21-32-27-5-2-1-3-6-27/h1-3,5-6,8-15,28-29,32,35H,4,7,16-22H2
InChIKeyYIBOKAQCZWKXIM-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.97
Rot. Bonds11

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

1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol (PubChem CID 3072701) has the molecular formula C29H35F2N3O and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
PubChem CID3072701
Molecular FormulaC29H35F2N3O
Molecular Weight479.62 g/mol
Exact Mass479.27
IUPAC Name1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol
SMILESOC(CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C29H35F2N3O/c30-25-12-8-23(9-13-25)29(24-10-14-26(31)15-11-24)7-4-16-33-17-19-34(20-18-33)22-28(35)21-32-27-5-2-1-3-6-27/h1-3,5-6,8-15,28-29,32,35H,4,7,16-22H2
InChIKeyYIBOKAQCZWKXIM-UHFFFAOYSA-N
XLogP4.97
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((phenylmethyl)amino)methyl)-
CID 3072702
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((methylphenylamino)methyl)-
CID 3072750
Acetamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-
CID 3072777
(S)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 25032702
(R)-1-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-3-phenylpropan-2-ol
CID 44580764
1-Anilino-3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propan-2-ol
CID 4913215
(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 71531917
(2R)-1,1,1-trifluoro-3-[(2R)-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
CID 71532055
1-Piperazineethanol, 4-(diphenylmethyl)-alpha-((phenylamino)methyl)-
CID 3072696
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((2-phenylethyl)amino)methyl)-
CID 3072703
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((diphenylamino)methyl)-
CID 3072764
1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenyl(phenylmethyl)amino)methyl)-
CID 3072766

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol (CID 3072701) is 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol is OC(CNc1ccccc1)CN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
The InChIKey is YIBOKAQCZWKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F2N3O/c30-25-12-8-23(9-13-25)29(24-10-14-26(31)15-11-24)7-4-16-33-17-19-34(20-18-33)22-28(35)21-32-27-5-2-1-3-6-27/h1-3,5-6,8-15,28-29,32,35H,4,7,16-22H2.
What are the key properties of 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol?
1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol has a molecular weight of 479.62 g/mol, XLogP of 4.97, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3072701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).