1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one

C18H19FN2O — CID 146080007

IUPAC1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C18H19FN2O/c19-17-9-5-4-8-16(17)13-20-10-11-21(18(22)14-20)12-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyHTFDNSOSFLNFDP-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.67
Rot. Bonds4

About 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one

1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one (PubChem CID 146080007) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
PubChem CID146080007
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccccc2F)CCN1Cc1ccccc1
InChIInChI=1S/C18H19FN2O/c19-17-9-5-4-8-16(17)13-20-10-11-21(18(22)14-20)12-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyHTFDNSOSFLNFDP-UHFFFAOYSA-N
XLogP2.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 56904232
1-benzyl-4-[(5-methyl-1,2-oxazol-4-yl)methyl]piperazin-2-one
CID 154575642
1-benzyl-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 154580851
4-benzyl-1-ethylpiperazin-2-one;ethane
CID 143408188
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
4-benzyl-1-(3,3-dimethylbutyl)piperazin-2-one
CID 167436677
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
4-(4-benzylpiperazine-1-carbonyl)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 113183434
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine;oxalic acid
CID 2874367

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one (CID 146080007) is 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one is O=C1CN(Cc2ccccc2F)CCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is HTFDNSOSFLNFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-17-9-5-4-8-16(17)13-20-10-11-21(18(22)14-20)12-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one?
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 298.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 146080007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).