1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine

C28H42N2 — CID 170862633

IUPAC1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
SMILESCc1cc(C)c(CCc2c(C)cc(C)c(C)c2CCCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C28H42N2/c1-20-17-22(3)26(23(4)18-20)10-11-27-24(5)19-21(2)25(6)28(27)9-8-12-30-15-13-29(7)14-16-30/h17-19H,8-16H2,1-7H3
InChIKeyYXLAKUHBUICAGJ-UHFFFAOYSA-N
MW406.66 g/mol
LogP5.50
Rot. Bonds7

About 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine

1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine (PubChem CID 170862633) has the molecular formula C28H42N2 and a molecular weight of 406.66 g/mol. Its IUPAC name is 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
PubChem CID170862633
Molecular FormulaC28H42N2
Molecular Weight406.66 g/mol
Exact Mass406.33
IUPAC Name1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
SMILESCc1cc(C)c(CCc2c(C)cc(C)c(C)c2CCCN2CCN(C)CC2)c(C)c1
InChIInChI=1S/C28H42N2/c1-20-17-22(3)26(23(4)18-20)10-11-27-24(5)19-21(2)25(6)28(27)9-8-12-30-15-13-29(7)14-16-30/h17-19H,8-16H2,1-7H3
InChIKeyYXLAKUHBUICAGJ-UHFFFAOYSA-N
XLogP5.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.66
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
CID 82485339
4-methyl-2,6-bis[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862381
1-[3-(3,4-difluoro-5-methylphenyl)propyl]-4-methylpiperazine
CID 170863010
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[3-(3,5-dimethyl-1H-pyrrol-2-yl)propyl]-4-methylpiperazine
CID 170864210
2-[3-(4-methylpiperazin-1-yl)propyl]-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidine
CID 150503492
3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
CID 142307822
6,8-dimethyl-3-[3-(4-methylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylquinoline
CID 170864278
2,4,6-tribromo-3-[3-(4-methylpiperazin-1-yl)propyl]phenol
CID 170862881
4-[3-(4-methylpiperazin-1-yl)propyl]-2,6-di(propan-2-yl)phenol
CID 170862664
1-ethyl-4-[4-(2,3,5-trimethylphenoxy)butyl]piperazine
CID 2216167

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine (CID 170862633) is 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine is Cc1cc(C)c(CCc2c(C)cc(C)c(C)c2CCCN2CCN(C)CC2)c(C)c1.
What is the InChIKey of 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine?
The InChIKey is YXLAKUHBUICAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2/c1-20-17-22(3)26(23(4)18-20)10-11-27-24(5)19-21(2)25(6)28(27)9-8-12-30-15-13-29(7)14-16-30/h17-19H,8-16H2,1-7H3.
What are the key properties of 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine?
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine has a molecular weight of 406.66 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine is sourced from PubChem (CID 170862633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).