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

C13H17ClF2N2O — CID 120571214

IUPAC(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(F)c(F)c2)C1C.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8-9(2)17(6-5-16-8)13(18)10-3-4-11(14)12(15)7-10;/h3-4,7-9,16H,5-6H2,1-2H3;1H
InChIKeyZUJRYCQNOHGOSA-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.21
Rot. Bonds1

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

(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120571214) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120571214
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)c2ccc(F)c(F)c2)C1C.Cl
InChIInChI=1S/C13H16F2N2O.ClH/c1-8-9(2)17(6-5-16-8)13(18)10-3-4-11(14)12(15)7-10;/h3-4,7-9,16H,5-6H2,1-2H3;1H
InChIKeyZUJRYCQNOHGOSA-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

(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(3,4-difluorophenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82245250
(2,3-dimethylpiperazin-1-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanone;hydrochloride
CID 120570699
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120571458
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
(2,4-difluoro-5-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571461

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120571214) is (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1NCCN(C(=O)c2ccc(F)c(F)c2)C1C.Cl.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is ZUJRYCQNOHGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c1-8-9(2)17(6-5-16-8)13(18)10-3-4-11(14)12(15)7-10;/h3-4,7-9,16H,5-6H2,1-2H3;1H.
What are the key properties of (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(3,4-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 (3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120571214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).