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

C14H20Cl2N2O — CID 120573035

IUPAC(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2C)ccc1Cl.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9-8-12(4-5-13(9)15)14(18)17-7-6-16-10(2)11(17)3;/h4-5,8,10-11,16H,6-7H2,1-3H3;1H
InChIKeyVDNBOMSRARPBIL-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.89
Rot. Bonds1

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

(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120573035) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120573035
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2C)ccc1Cl.Cl
InChIInChI=1S/C14H19ClN2O.ClH/c1-9-8-12(4-5-13(9)15)14(18)17-7-6-16-10(2)11(17)3;/h4-5,8,10-11,16H,6-7H2,1-3H3;1H
InChIKeyVDNBOMSRARPBIL-UHFFFAOYSA-N
XLogP2.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
CID 120571458
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
2-(4-chloro-3-methylphenoxy)-1-(2,3-dimethylpiperazin-1-yl)ethanone
CID 120572237
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
(2-chloro-4-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573234

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120573035) is (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCNC(C)C2C)ccc1Cl.Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is VDNBOMSRARPBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O.ClH/c1-9-8-12(4-5-13(9)15)14(18)17-7-6-16-10(2)11(17)3;/h4-5,8,10-11,16H,6-7H2,1-3H3;1H.
What are the key properties of (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 303.23 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120573035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).