(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone

C24H22F2N2O — CID 9337064

IUPAC(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22F2N2O/c25-21-15-20(16-22(26)17-21)24(29)28-13-11-27(12-14-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,23H,11-14H2
InChIKeyWCZYBRSIAMKOAJ-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.51
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone

(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone (PubChem CID 9337064) has the molecular formula C24H22F2N2O and a molecular weight of 392.45 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
PubChem CID9337064
Molecular FormulaC24H22F2N2O
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H22F2N2O/c25-21-15-20(16-22(26)17-21)24(29)28-13-11-27(12-14-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,23H,11-14H2
InChIKeyWCZYBRSIAMKOAJ-UHFFFAOYSA-N
XLogP4.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
(4-benzhydrylpiperazin-1-yl)-[3-(2-phenylethynyl)phenyl]methanone
CID 2872605
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone (CID 9337064) is (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone is O=C(c1cc(F)cc(F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone?
The InChIKey is WCZYBRSIAMKOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O/c25-21-15-20(16-22(26)17-21)24(29)28-13-11-27(12-14-28)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,15-17,23H,11-14H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone?
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone has a molecular weight of 392.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 9337064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).