(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride

C12H16ClFN2O — CID 119032534

IUPAC(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-9-8-10(2-3-11(9)13)12(16)15-6-4-14-5-7-15;/h2-3,8,14H,4-7H2,1H3;1H
InChIKeyZNNIOMHQGWFYJR-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.60
Rot. Bonds1

About (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride

(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119032534) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
PubChem CID119032534
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)ccc1F.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-9-8-10(2-3-11(9)13)12(16)15-6-4-14-5-7-15;/h2-3,8,14H,4-7H2,1H3;1H
InChIKeyZNNIOMHQGWFYJR-UHFFFAOYSA-N
XLogP1.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
[3-fluoro-4-(4-fluoro-2-methylphenyl)phenyl]-piperazin-1-ylmethanone
CID 119401901
(4-fluoro-3-methylphenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110814912
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553
(3-bromo-4-methylphenyl)-piperazin-1-ylmethanone
CID 81469486
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetic acid
CID 63209941
(4-fluoro-3-methylphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114236873
1-(4-fluoro-3-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63209441
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(4-fluoro-3-methylphenyl)methanone
CID 99596896
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride (CID 119032534) is (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride is Cc1cc(C(=O)N2CCNCC2)ccc1F.Cl.
What is the InChIKey of (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is ZNNIOMHQGWFYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-9-8-10(2-3-11(9)13)12(16)15-6-4-14-5-7-15;/h2-3,8,14H,4-7H2,1H3;1H.
What are the key properties of (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride?
(4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119032534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).