(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C13H17ClF2N2O — CID 120570274

IUPAC(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(F)cc2F)C1C.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8-9(2)17(6-5-16-8)13(18)11-4-3-10(14)7-12(11)15;/h3-4,7-9,16H,5-6H2,1-2H3;1H
InChIKeyUDINLLKHAPXGNF-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.21
Rot. Bonds1

About (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120570274) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120570274
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(F)cc2F)C1C.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8-9(2)17(6-5-16-8)13(18)11-4-3-10(14)7-12(11)15;/h3-4,7-9,16H,5-6H2,1-2H3;1H
InChIKeyUDINLLKHAPXGNF-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573234
(2,3-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 120569604
(4-bromo-2-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570706
(2,4-difluoro-5-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571461
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120573034
[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572434
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
3-(2,5-difluorophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;hydrochloride
CID 120569523
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(2,3-dimethylpiperazin-1-yl)-(2-methyl-4-nitrophenyl)methanone;hydrochloride
CID 120570541

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120570274) is (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1NCCN(C(=O)c2ccc(F)cc2F)C1C.Cl.
What is the InChIKey of (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is UDINLLKHAPXGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-8-9(2)17(6-5-16-8)13(18)11-4-3-10(14)7-12(11)15;/h3-4,7-9,16H,5-6H2,1-2H3;1H.
What are the key properties of (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120570274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).