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

C14H21ClN2O — CID 119578061

IUPAC(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCNC(C)C2)c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-6-11(2)8-13(7-10)14(17)16-5-4-15-12(3)9-16;/h6-8,12,15H,4-5,9H2,1-3H3;1H
InChIKeyHYWKMFRQCMUZGQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.16
Rot. Bonds1

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

(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119578061) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119578061
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1cc(C)cc(C(=O)N2CCNC(C)C2)c1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-6-11(2)8-13(7-10)14(17)16-5-4-15-12(3)9-16;/h6-8,12,15H,4-5,9H2,1-3H3;1H
InChIKeyHYWKMFRQCMUZGQ-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576197
(3-methylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119580698
(3,5-dimethoxy-4-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 119580704
1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
(3-bromo-5-fluorophenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576853
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
(3-hydroxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426598
[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18664719

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119578061) is (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is Cc1cc(C)cc(C(=O)N2CCNC(C)C2)c1.Cl.
What is the InChIKey of (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is HYWKMFRQCMUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-6-11(2)8-13(7-10)14(17)16-5-4-15-12(3)9-16;/h6-8,12,15H,4-5,9H2,1-3H3;1H.
What are the key properties of (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119578061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).