1-[(2,5-dimethylphenyl)methyl]piperazine

C13H20N2 — CID 2758541

IUPAC1-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CN2CCNCC2)c1
InChIInChI=1S/C13H20N2/c1-11-3-4-12(2)13(9-11)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyCFQKZODRQRHNLP-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.71
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]piperazine

1-[(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 2758541) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]piperazine
PubChem CID2758541
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CN2CCNCC2)c1
InChIInChI=1S/C13H20N2/c1-11-3-4-12(2)13(9-11)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyCFQKZODRQRHNLP-UHFFFAOYSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]piperazine (CID 2758541) is 1-[(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]piperazine is Cc1ccc(C)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is CFQKZODRQRHNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-3-4-12(2)13(9-11)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]piperazine?
1-[(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 2758541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).