1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine

C13H19ClN2 — CID 121478180

IUPAC1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
SMILESCc1ccc(CN2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-11-3-4-12(13(14)9-11)10-16-7-5-15(2)6-8-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCYTJWQXOJFECGZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.40
Rot. Bonds2

About 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine

1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine (PubChem CID 121478180) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
PubChem CID121478180
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine
SMILESCc1ccc(CN2CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-11-3-4-12(13(14)9-11)10-16-7-5-15(2)6-8-16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyCYTJWQXOJFECGZ-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(4-methylpiperazin-1-yl)methyl]aniline
CID 28721933
ethane;1-[(2-fluoro-4-methylphenyl)methyl]-4-methylpiperazine
CID 145145193
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 102666772
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 106865235
ethane;1-[(2-methoxy-5-methylphenyl)methyl]-4-methylpiperazine
CID 144540102
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidine-4-carbothioamide
CID 107161488
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
1-methyl-4-[(4-methyl-2-piperidin-4-ylphenyl)methyl]piperazine
CID 170994872
3-(2-chloroethyl)-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidine
CID 106869928
1-methyl-4-[[2-methyl-4-(3-methylphenyl)phenyl]methyl]piperazine
CID 123946269

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine (CID 121478180) is 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine is Cc1ccc(CN2CCN(C)CC2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine?
The InChIKey is CYTJWQXOJFECGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-11-3-4-12(13(14)9-11)10-16-7-5-15(2)6-8-16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine?
1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine has a molecular weight of 238.76 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 121478180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).