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

C15H24N2 — CID 63863135

IUPAC1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
SMILESCc1ccc(C)c(CN2CC(C)NC(C)C2)c1
InChIInChI=1S/C15H24N2/c1-11-5-6-12(2)15(7-11)10-17-8-13(3)16-14(4)9-17/h5-7,13-14,16H,8-10H2,1-4H3
InChIKeyZCKGONNZLQFUBV-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.49
Rot. Bonds2

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

1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine (PubChem CID 63863135) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
PubChem CID63863135
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine
SMILESCc1ccc(C)c(CN2CC(C)NC(C)C2)c1
InChIInChI=1S/C15H24N2/c1-11-5-6-12(2)15(7-11)10-17-8-13(3)16-14(4)9-17/h5-7,13-14,16H,8-10H2,1-4H3
InChIKeyZCKGONNZLQFUBV-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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Related Compounds

1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane
CID 64858807
3-tert-butyl-1-[(2,5-dimethylphenyl)methyl]piperazine
CID 64834227
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
1-[(3-methoxy-4-methylphenyl)methyl]-3,5-dimethylpiperazine
CID 120839930
1-[(2-fluoro-5-methylphenyl)methyl]-3-methylpiperazine
CID 83811097
(3S)-1-[(5-fluoro-2-methylphenyl)methyl]-3-methylpiperazine
CID 103947576
1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119923904
3-(2-chloroethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800550
3-(2-bromoethyl)-1-[(2,5-dimethylphenyl)methyl]pyrrolidine
CID 114800338
4-chloro-2-[(3,5-dimethylpiperazin-1-yl)methyl]phenol
CID 63862971
2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433908
(2R)-1-[(2,5-dimethylphenyl)methyl]-2-methylpiperazine
CID 82713288

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine (CID 63863135) is 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine is Cc1ccc(C)c(CN2CC(C)NC(C)C2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is ZCKGONNZLQFUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-6-12(2)15(7-11)10-17-8-13(3)16-14(4)9-17/h5-7,13-14,16H,8-10H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine?
1-[(2,5-dimethylphenyl)methyl]-3,5-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-[(2,5-dimethylphenyl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63863135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).