3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride

C15H21ClF2N2O — CID 120569523

IUPAC3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCc2cc(F)ccc2F)C1C.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-10-11(2)19(8-7-18-10)15(20)6-3-12-9-13(16)4-5-14(12)17;/h4-5,9-11,18H,3,6-8H2,1-2H3;1H
InChIKeyWSLRYTPGVFPLNY-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.53
Rot. Bonds3

About 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride

3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride (PubChem CID 120569523) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
PubChem CID120569523
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
SMILESCC1NCCN(C(=O)CCc2cc(F)ccc2F)C1C.Cl
InChIInChI=1S/C15H20F2N2O.ClH/c1-10-11(2)19(8-7-18-10)15(20)6-3-12-9-13(16)4-5-14(12)17;/h4-5,9-11,18H,3,6-8H2,1-2H3;1H
InChIKeyWSLRYTPGVFPLNY-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 122081287
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
(3R)-4-[3-(2,5-difluorophenyl)propanoyl]-3-propan-2-ylpiperazin-2-one
CID 95324238
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
CID 120739331
N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
3-(4-bromo-3-methylphenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 120571442
1-(2,3-dimethylpiperazin-1-yl)-3-(3-nitrophenyl)propan-1-one;hydrochloride
CID 120572423
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2,5-difluorophenyl)propan-1-one
CID 119633596
4-(3,4-dichlorophenyl)-1-(2,3-dimethylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120572031
3-(2,5-difluorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119647221

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride (CID 120569523) is 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride is CC1NCCN(C(=O)CCc2cc(F)ccc2F)C1C.Cl.
What is the InChIKey of 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
The InChIKey is WSLRYTPGVFPLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O.ClH/c1-10-11(2)19(8-7-18-10)15(20)6-3-12-9-13(16)4-5-14(12)17;/h4-5,9-11,18H,3,6-8H2,1-2H3;1H.
What are the key properties of 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride?
3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120569523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).