(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C15H23ClN2O — CID 120569818

IUPAC(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCNC(C)C2C)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-7-11(2)9-14(8-10)15(18)17-6-5-16-12(3)13(17)4;/h7-9,12-13,16H,5-6H2,1-4H3;1H
InChIKeyYPWRAEZGWRCITD-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.55
Rot. Bonds1

About (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120569818) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120569818
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCNC(C)C2C)c1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-10-7-11(2)9-14(8-10)15(18)17-6-5-16-12(3)13(17)4;/h7-9,12-13,16H,5-6H2,1-4H3;1H
InChIKeyYPWRAEZGWRCITD-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(2,5-dimethylfuran-3-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572283
(3,5-dimethylfuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570950
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578061
[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 (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120569818) is (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is Cc1cc(C)cc(C(=O)N2CCNC(C)C2C)c1.Cl.
What is the InChIKey of (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is YPWRAEZGWRCITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-10-7-11(2)9-14(8-10)15(18)17-6-5-16-12(3)13(17)4;/h7-9,12-13,16H,5-6H2,1-4H3;1H.
What are the key properties of (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120569818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).