1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine

C15H24N2 — CID 64844873

IUPAC1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
SMILESCc1cc(C)cc(CN2CC(C)NCC2C)c1
InChIInChI=1S/C15H24N2/c1-11-5-12(2)7-15(6-11)10-17-9-13(3)16-8-14(17)4/h5-7,13-14,16H,8-10H2,1-4H3
InChIKeyYSSRYFHFLHPRLH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine

1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine (PubChem CID 64844873) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
PubChem CID64844873
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
SMILESCc1cc(C)cc(CN2CC(C)NCC2C)c1
InChIInChI=1S/C15H24N2/c1-11-5-12(2)7-15(6-11)10-17-9-13(3)16-8-14(17)4/h5-7,13-14,16H,8-10H2,1-4H3
InChIKeyYSSRYFHFLHPRLH-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine (CID 64844873) is 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine is Cc1cc(C)cc(CN2CC(C)NCC2C)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine?
The InChIKey is YSSRYFHFLHPRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-12(2)7-15(6-11)10-17-9-13(3)16-8-14(17)4/h5-7,13-14,16H,8-10H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine?
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine has a molecular weight of 232.37 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64844873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).