(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C12H15ClF2N2O — CID 119576197

IUPAC(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cc(F)cc(F)c2)CCN1.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-8-7-16(3-2-15-8)12(17)9-4-10(13)6-11(14)5-9;/h4-6,8,15H,2-3,7H2,1H3;1H
InChIKeyDHLJTRFPWVQMAG-UHFFFAOYSA-N
MW276.71 g/mol
LogP1.82
Rot. Bonds1

About (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119576197) has the molecular formula C12H15ClF2N2O and a molecular weight of 276.71 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119576197
Molecular FormulaC12H15ClF2N2O
Molecular Weight276.71 g/mol
Exact Mass276.08
IUPAC Name(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2cc(F)cc(F)c2)CCN1.Cl
InChIInChI=1S/C12H14F2N2O.ClH/c1-8-7-16(3-2-15-8)12(17)9-4-10(13)6-11(14)5-9;/h4-6,8,15H,2-3,7H2,1H3;1H
InChIKeyDHLJTRFPWVQMAG-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.71
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576853
(3-methylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119580698
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 176731028
[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-(3-methylpiperazin-1-yl)methanone
CID 176731032
2-(3,5-difluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone;hydrochloride
CID 176516377
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 82875734
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(5-fluoro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579929
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
(2-chloro-4-fluorophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428671

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119576197) is (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2cc(F)cc(F)c2)CCN1.Cl.
What is the InChIKey of (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is DHLJTRFPWVQMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O.ClH/c1-8-7-16(3-2-15-8)12(17)9-4-10(13)6-11(14)5-9;/h4-6,8,15H,2-3,7H2,1H3;1H.
What are the key properties of (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 276.71 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119576197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).