1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine

C15H24N2 — CID 93464451

IUPAC1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
SMILESCc1cc(C)c([C@H](C)N2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-11-9-12(2)15(13(3)10-11)14(4)17-7-5-16-6-8-17/h9-10,14,16H,5-8H2,1-4H3/t14-/m0/s1
InChIKeySHMVNWMUPHPQSO-AWEZNQCLSA-N
MW232.37 g/mol
LogP2.58
Rot. Bonds2

About 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine

1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine (PubChem CID 93464451) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
PubChem CID93464451
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine
SMILESCc1cc(C)c([C@H](C)N2CCNCC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-11-9-12(2)15(13(3)10-11)14(4)17-7-5-16-6-8-17/h9-10,14,16H,5-8H2,1-4H3/t14-/m0/s1
InChIKeySHMVNWMUPHPQSO-AWEZNQCLSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-methoxy-4,6-dimethylphenyl)ethyl]piperazine
CID 82498846
3,5-dimethyl-4-[(1R)-1-piperazin-1-ylethyl]phenol
CID 171285559
1-[2-methyl-1-(2,4,6-trimethylphenyl)propyl]piperazine
CID 82302013
1-[(1R)-1-(2,6-dimethoxy-4-methylphenyl)ethyl]piperazine
CID 171296555
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-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707
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-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine (CID 93464451) is 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine is Cc1cc(C)c([C@H](C)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine?
The InChIKey is SHMVNWMUPHPQSO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-9-12(2)15(13(3)10-11)14(4)17-7-5-16-6-8-17/h9-10,14,16H,5-8H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine?
1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine has a molecular weight of 232.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]piperazine is sourced from PubChem (CID 93464451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).