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

C19H21FN2O — CID 21241521

IUPAC1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21FN2O/c20-18-8-6-16(7-9-18)14-19(23)22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyWLRQDXHJIYADGP-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.71
Rot. Bonds4

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

1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 21241521) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
PubChem CID21241521
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21FN2O/c20-18-8-6-16(7-9-18)14-19(23)22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyWLRQDXHJIYADGP-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
2-(2-bromophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074105
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732
1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 874059
1-(4-benzylpiperazin-1-yl)-2-[2-(4-fluorophenyl)ethylamino]ethanone
CID 109000400
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 17439386
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(4-chlorophenyl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 113074065

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone (CID 21241521) is 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is WLRQDXHJIYADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c20-18-8-6-16(7-9-18)14-19(23)22-12-10-21(11-13-22)15-17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 312.39 g/mol, XLogP of 2.71, 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-fluorophenyl)ethanone is sourced from PubChem (CID 21241521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).