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

C13H20N2 — CID 82282920

IUPAC2-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CC2CNCCN2)c1
InChIInChI=1S/C13H20N2/c1-10-3-4-11(2)12(7-10)8-13-9-14-5-6-15-13/h3-4,7,13-15H,5-6,8-9H2,1-2H3
InChIKeyGOHSYZYUMGSAJN-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.41
Rot. Bonds2

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

2-[(2,5-dimethylphenyl)methyl]piperazine (PubChem CID 82282920) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]piperazine
PubChem CID82282920
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[(2,5-dimethylphenyl)methyl]piperazine
SMILESCc1ccc(C)c(CC2CNCCN2)c1
InChIInChI=1S/C13H20N2/c1-10-3-4-11(2)12(7-10)8-13-9-14-5-6-15-13/h3-4,7,13-15H,5-6,8-9H2,1-2H3
InChIKeyGOHSYZYUMGSAJN-UHFFFAOYSA-N
XLogP1.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(piperazin-2-ylmethyl)phenol
CID 22342761
2-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)piperidine
CID 106777914
1,5,7-trimethyl-3-(piperazin-2-ylmethyl)indole
CID 84636749
2-[(5-chloro-2-methoxy-3-methylphenyl)methyl]piperazine
CID 116825296
(2S)-2-[2-(2-methylphenyl)ethyl]piperazine
CID 163935579
2-(1,4,7,10,13-pentazacyclopentadec-2-ylmethyl)phenol
CID 21338454
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
2-[(5-bromo-2-fluorophenyl)methyl]piperazine
CID 116825334
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
CID 116817401

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]piperazine (CID 82282920) is 2-[(2,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]piperazine is Cc1ccc(C)c(CC2CNCCN2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]piperazine?
The InChIKey is GOHSYZYUMGSAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-4-11(2)12(7-10)8-13-9-14-5-6-15-13/h3-4,7,13-15H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]piperazine?
2-[(2,5-dimethylphenyl)methyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 82282920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).