3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine

C13H19ClN2 — CID 82292400

IUPAC3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
SMILESCc1ccc(Cl)cc1CC1CN(C)CCN1
InChIInChI=1S/C13H19ClN2/c1-10-3-4-12(14)7-11(10)8-13-9-16(2)6-5-15-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyRMLTWJKTDCEBFL-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.09
Rot. Bonds2

About 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine

3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine (PubChem CID 82292400) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine.

Molecular Properties

Compound Name3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
PubChem CID82292400
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine
SMILESCc1ccc(Cl)cc1CC1CN(C)CCN1
InChIInChI=1S/C13H19ClN2/c1-10-3-4-12(14)7-11(10)8-13-9-16(2)6-5-15-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3
InChIKeyRMLTWJKTDCEBFL-UHFFFAOYSA-N
XLogP2.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine
CID 82285679
4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
5-chloro-2-fluoro-N-[2-(4-methylpiperazin-2-yl)ethyl]benzamide
CID 117044847
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238653
3-benzyl-1-(5-chloro-2-methylphenyl)piperazine
CID 64926645
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
4-fluoro-3-methyl-N-[(4-methylpiperazin-2-yl)methyl]aniline
CID 115238533
3-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-methylpiperazine
CID 116928133
1-methyl-3-(1H-pyrrol-3-ylmethyl)piperazine
CID 116928127
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239412
N-[(4-chlorophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238709

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine?
The IUPAC name of 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine (CID 82292400) is 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine.
What is the SMILES notation for 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine?
The canonical SMILES for 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine is Cc1ccc(Cl)cc1CC1CN(C)CCN1.
What is the InChIKey of 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine?
The InChIKey is RMLTWJKTDCEBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-3-4-12(14)7-11(10)8-13-9-16(2)6-5-15-13/h3-4,7,13,15H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine?
3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methylphenyl)methyl]-1-methylpiperazine is sourced from PubChem (CID 82292400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).