1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone

C19H20ClFN2O — CID 56921578

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClFN2O/c20-17-7-6-16(18(21)13-17)12-19(24)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2
InChIKeyDLAAVVYBCVDHNP-UHFFFAOYSA-N
MW346.83 g/mol
LogP3.37
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone (PubChem CID 56921578) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
PubChem CID56921578
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClFN2O/c20-17-7-6-16(18(21)13-17)12-19(24)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2
InChIKeyDLAAVVYBCVDHNP-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 56923362
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
1-(4-benzylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)ethanone
CID 110411979
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-(4-benzyl-6-hydroxy-1,4-diazepan-1-yl)-2-(2,4-difluorophenyl)ethanone
CID 72890028
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113075178
2-(2-fluorophenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 110709172
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065
1-(4-benzylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 110766994
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone (CID 56921578) is 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone is O=C(Cc1ccc(Cl)cc1F)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
The InChIKey is DLAAVVYBCVDHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-17-7-6-16(18(21)13-17)12-19(24)23-10-8-22(9-11-23)14-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone has a molecular weight of 346.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 56921578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).