1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine

C17H28N2 — CID 82302013

IUPAC1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
SMILESCc1cc(C)c(C(C(C)C)N2CCNCC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12(2)17(19-8-6-18-7-9-19)16-14(4)10-13(3)11-15(16)5/h10-12,17-18H,6-9H2,1-5H3
InChIKeyUIUFOLQTAVUBBO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds3

About 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine

1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine (PubChem CID 82302013) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
PubChem CID82302013
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
SMILESCc1cc(C)c(C(C(C)C)N2CCNCC2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12(2)17(19-8-6-18-7-9-19)16-14(4)10-13(3)11-15(16)5/h10-12,17-18H,6-9H2,1-5H3
InChIKeyUIUFOLQTAVUBBO-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 93464451
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82262989
1-[(1S)-2-fluoro-1-(2,4,6-trimethylphenyl)ethyl]piperazine;hydrochloride
CID 171181928
1-[(1R)-4-methyl-1-(2,4,6-trimethylphenyl)pentyl]piperazine;dihydrochloride
CID 171310942
1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
1-[(1S)-2-cyclopropyl-1-(2,4,6-trimethylphenyl)ethyl]piperazine;dihydrochloride
CID 171277972
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
1-[(1R)-3-methyl-1-(2,4,6-trimethylphenyl)but-3-enyl]piperazine
CID 171290602
1-[(1S)-1-(3,5-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171288145
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171285559
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
1-[(1R)-1-(2,4-dimethylphenyl)-2,2-difluoroethyl]piperazine
CID 171282246

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine?
The IUPAC name of 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine (CID 82302013) is 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine is Cc1cc(C)c(C(C(C)C)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine?
The InChIKey is UIUFOLQTAVUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)17(19-8-6-18-7-9-19)16-14(4)10-13(3)11-15(16)5/h10-12,17-18H,6-9H2,1-5H3.
What are the key properties of 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine?
1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine is sourced from PubChem (CID 82302013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).