1-(3-chloro-4-methylphenyl)-2-methylpiperazine

C12H17ClN2 — CID 64939185

IUPAC1-(3-chloro-4-methylphenyl)-2-methylpiperazine
SMILESCc1ccc(N2CCNCC2C)cc1Cl
InChIInChI=1S/C12H17ClN2/c1-9-3-4-11(7-12(9)13)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyNMAJBBPAZUZNGD-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.45
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-2-methylpiperazine

1-(3-chloro-4-methylphenyl)-2-methylpiperazine (PubChem CID 64939185) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2-methylpiperazine
PubChem CID64939185
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name1-(3-chloro-4-methylphenyl)-2-methylpiperazine
SMILESCc1ccc(N2CCNCC2C)cc1Cl
InChIInChI=1S/C12H17ClN2/c1-9-3-4-11(7-12(9)13)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyNMAJBBPAZUZNGD-UHFFFAOYSA-N
XLogP2.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2-methylpiperazine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2-methylpiperazine (CID 64939185) is 1-(3-chloro-4-methylphenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2-methylpiperazine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2-methylpiperazine is Cc1ccc(N2CCNCC2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2-methylpiperazine?
The InChIKey is NMAJBBPAZUZNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-9-3-4-11(7-12(9)13)15-6-5-14-8-10(15)2/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2-methylpiperazine?
1-(3-chloro-4-methylphenyl)-2-methylpiperazine has a molecular weight of 224.73 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2-methylpiperazine is sourced from PubChem (CID 64939185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).