[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone

C19H16F6N2O — CID 42705379

IUPAC[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H16F6N2O/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)26-6-8-27(9-7-26)17(28)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyGTSCZGUXXPXMQF-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.69
Rot. Bonds2

About [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone

[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone (PubChem CID 42705379) has the molecular formula C19H16F6N2O and a molecular weight of 402.34 g/mol. Its IUPAC name is [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
PubChem CID42705379
Molecular FormulaC19H16F6N2O
Molecular Weight402.34 g/mol
Exact Mass402.12
IUPAC Name[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H16F6N2O/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)26-6-8-27(9-7-26)17(28)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyGTSCZGUXXPXMQF-UHFFFAOYSA-N
XLogP4.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone 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

pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
phenyl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 171778996
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
(4-pyridin-4-ylpiperazin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 9048304
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
2-methyl-2-[3-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]phenoxy]propanoic acid
CID 22399105
N,N-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzenesulfonamide
CID 2401851
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575

Frequently Asked Questions

What is the IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone (CID 42705379) is [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is GTSCZGUXXPXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O/c20-18(21,22)14-10-15(19(23,24)25)12-16(11-14)26-6-8-27(9-7-26)17(28)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2.
What are the key properties of [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone?
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 402.34 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 42705379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).