1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone

C19H20F2N2O — CID 4792808

IUPAC1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20F2N2O/c1-14(24)22-10-12-23(13-11-22)19(15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,19H,10-13H2,1H3
InChIKeyCMIJHVPRSMFZHR-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.22
Rot. Bonds3

About 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone

1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone (PubChem CID 4792808) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
PubChem CID4792808
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H20F2N2O/c1-14(24)22-10-12-23(13-11-22)19(15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,19H,10-13H2,1H3
InChIKeyCMIJHVPRSMFZHR-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclizine
CID 6726
Flunarizine
CID 941361
Flunarizine Hydrochloride
CID 5282407
Cyclizine Hydrochloride
CID 6420019
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
1-(4-Benzhydrylpiperazin-1-yl)ethanone
CID 885644
Figopitant
CID 9914857
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11840968
(4-Benzhydrylpiperazin-1-yl)(cyclohexyl)methanone
CID 994313
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
Cyclizine dihydrochloride
CID 67533

Frequently Asked Questions

What is the IUPAC name of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone (CID 4792808) is 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is CMIJHVPRSMFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-14(24)22-10-12-23(13-11-22)19(15-2-6-17(20)7-3-15)16-4-8-18(21)9-5-16/h2-9,19H,10-13H2,1H3.
What are the key properties of 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone?
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 330.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 4792808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).