1-[(4-methylphenyl)methyl]piperazine

C12H18N2 — CID 764723

IUPAC1-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKeyRNAXUUAJNMDESG-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.40
Rot. Bonds2

About 1-[(4-methylphenyl)methyl]piperazine

1-[(4-methylphenyl)methyl]piperazine (PubChem CID 764723) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]piperazine
PubChem CID764723
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3
InChIKeyRNAXUUAJNMDESG-UHFFFAOYSA-N
XLogP1.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methylphenyl)methyl]piperazine (CID 764723) is 1-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]piperazine?
The InChIKey is RNAXUUAJNMDESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-11-2-4-12(5-3-11)10-14-8-6-13-7-9-14/h2-5,13H,6-10H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]piperazine?
1-[(4-methylphenyl)methyl]piperazine has a molecular weight of 190.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 764723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).