3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine

C14H22N2 — CID 82285679

IUPAC3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCc1ccc(CC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-4-5-13(12(2)8-11)9-14-10-16(3)7-6-15-14/h4-5,8,14-15H,6-7,9-10H2,1-3H3
InChIKeyFXSSMEKJICZJIX-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.75
Rot. Bonds2

About 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine

3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine (PubChem CID 82285679) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
PubChem CID82285679
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
SMILESCc1ccc(CC2CN(C)CCN2)c(C)c1
InChIInChI=1S/C14H22N2/c1-11-4-5-13(12(2)8-11)9-14-10-16(3)7-6-15-14/h4-5,8,14-15H,6-7,9-10H2,1-3H3
InChIKeyFXSSMEKJICZJIX-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
CID 82292400
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
1-(4-methylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 115238665
1-(4-methylpiperazin-2-yl)-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115238690
7-methyl-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84630932
2-(4-methylphenyl)-N-[(4-methylpiperazin-2-yl)methyl]ethanamine
CID 115238743
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
3-(2,5-dimethylphenyl)sulfanyl-1-methylpiperazine
CID 117034300
3-[(2,4-dimethylphenyl)methyl]azetidine
CID 16780033

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine?
The IUPAC name of 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine (CID 82285679) is 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine is Cc1ccc(CC2CN(C)CCN2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine?
The InChIKey is FXSSMEKJICZJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-4-5-13(12(2)8-11)9-14-10-16(3)7-6-15-14/h4-5,8,14-15H,6-7,9-10H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine?
3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine has a molecular weight of 218.34 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 82285679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).