1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride

C16H24ClFN2O — CID 120571034

IUPAC1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11(9-14-5-4-6-15(17)10-14)16(20)19-8-7-18-12(2)13(19)3;/h4-6,10-13,18H,7-9H2,1-3H3;1H
InChIKeyIKOMDLFHXCDMFM-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.63
Rot. Bonds3

About 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride

1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride (PubChem CID 120571034) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
PubChem CID120571034
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)N1CCNC(C)C1C.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-11(9-14-5-4-6-15(17)10-14)16(20)19-8-7-18-12(2)13(19)3;/h4-6,10-13,18H,7-9H2,1-3H3;1H
InChIKeyIKOMDLFHXCDMFM-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120738432
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CID 120572401
(2,3-dimethylpiperazin-1-yl)-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 120571834
(2S)-3-(3-fluorophenyl)-2-methyl-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95587105
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
(2R)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250771
(2S)-3-(3-fluorophenyl)-2-methyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 95250770
1-(2,3-dimethylpiperazin-1-yl)-2-phenylbutan-1-one
CID 120613617
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
1-[1-(3-fluorophenyl)propan-2-yl]-3-methylpiperazine
CID 114832354
(2R)-3-(3-fluorophenyl)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methylpropan-1-one
CID 95607196
N-[1-(2,3-dimethylpiperazin-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide;hydrochloride
CID 120573193

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride (CID 120571034) is 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride is CC(Cc1cccc(F)c1)C(=O)N1CCNC(C)C1C.Cl.
What is the InChIKey of 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride?
The InChIKey is IKOMDLFHXCDMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-11(9-14-5-4-6-15(17)10-14)16(20)19-8-7-18-12(2)13(19)3;/h4-6,10-13,18H,7-9H2,1-3H3;1H.
What are the key properties of 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride?
1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpiperazin-1-yl)-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 120571034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).