1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one

C14H19FN2O — CID 19323503

IUPAC1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyDFWHOCVEAQNIBM-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.88
Rot. Bonds3

About 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one

1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 19323503) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID19323503
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3
InChIKeyDFWHOCVEAQNIBM-UHFFFAOYSA-N
XLogP1.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one (CID 19323503) is 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is DFWHOCVEAQNIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-14(18)17-9-7-16(8-10-17)11-12-3-5-13(15)6-4-12/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one?
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 250.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 19323503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).