1-[(2-chlorophenyl)methyl]-4-methylpiperazine

C12H17ClN2 — CID 765398

IUPAC1-[(2-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C12H17ClN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyVBJOVJNPSLMNLA-UHFFFAOYSA-N
MW224.74 g/mol
LogP2.09
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4-methylpiperazine

1-[(2-chlorophenyl)methyl]-4-methylpiperazine (PubChem CID 765398) has the molecular formula C12H17ClN2 and a molecular weight of 224.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-methylpiperazine
PubChem CID765398
Molecular FormulaC12H17ClN2
Molecular Weight224.74 g/mol
Exact Mass224.11
IUPAC Name1-[(2-chlorophenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C12H17ClN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3
InChIKeyVBJOVJNPSLMNLA-UHFFFAOYSA-N
XLogP2.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.74
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-methylpiperazine (CID 765398) is 1-[(2-chlorophenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-methylpiperazine is CN1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-methylpiperazine?
The InChIKey is VBJOVJNPSLMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13/h2-5H,6-10H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-methylpiperazine?
1-[(2-chlorophenyl)methyl]-4-methylpiperazine has a molecular weight of 224.74 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 765398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).