1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine

C14H22N2 — CID 71214328

IUPAC1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
SMILESCc1ccc(CN2CCN(C)CC2)cc1C
InChIInChI=1S/C14H22N2/c1-12-4-5-14(10-13(12)2)11-16-8-6-15(3)7-9-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyZVEYJLMIVQCGKR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.05
Rot. Bonds2

About 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine

1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine (PubChem CID 71214328) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
PubChem CID71214328
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
SMILESCc1ccc(CN2CCN(C)CC2)cc1C
InChIInChI=1S/C14H22N2/c1-12-4-5-14(10-13(12)2)11-16-8-6-15(3)7-9-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyZVEYJLMIVQCGKR-UHFFFAOYSA-N
XLogP2.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-tert-butyl-3-methylphenyl)methyl]-4-methylpiperazine
CID 58816228
1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[(1R)-1-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]ethyl]-4-methylpiperazine
CID 95144480
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
N,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 67106005
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[(4-bromophenyl)methyl]-4-methylpiperazine
CID 22197612
2-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341956
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylpiperazine
CID 765192
2-fluoro-5-[(4-methylpiperazin-1-yl)methyl]aniline
CID 84789213

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine (CID 71214328) is 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine is Cc1ccc(CN2CCN(C)CC2)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine?
The InChIKey is ZVEYJLMIVQCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-5-14(10-13(12)2)11-16-8-6-15(3)7-9-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine?
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 71214328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).