1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine

C18H30N2 — CID 95477555

IUPAC1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
SMILESCC(C)c1ccc(CCC(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)17-7-5-16(6-8-17)9-10-18(3,4)20-13-11-19-12-14-20/h5-8,15,19H,9-14H2,1-4H3
InChIKeyHYYIMGWUETUXRA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine

1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine (PubChem CID 95477555) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
PubChem CID95477555
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine
SMILESCC(C)c1ccc(CCC(C)(C)N2CCNCC2)cc1
InChIInChI=1S/C18H30N2/c1-15(2)17-7-5-16(6-8-17)9-10-18(3,4)20-13-11-19-12-14-20/h5-8,15,19H,9-14H2,1-4H3
InChIKeyHYYIMGWUETUXRA-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-piperazin-1-yl-3-(4-propan-2-ylphenyl)propanenitrile
CID 84751985
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
1-(3,3-dimethylbutyl)-4-propan-2-ylbenzene;methane
CID 171834483
1-[2-methyl-1-[4-(2-methylpropyl)phenyl]propan-2-yl]piperazine
CID 95477611
1-[2-methyl-4-(1H-pyrrol-3-yl)butan-2-yl]-1,4-diazepane
CID 82476278
N-(piperazin-1-ylmethyl)-1-(4-propan-2-ylphenyl)methanamine
CID 115229953
1-[2-methyl-4-(1H-pyrrol-2-yl)butan-2-yl]piperazine
CID 116931984
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-(2,6-dimethylheptan-2-yl)piperazine
CID 116931981
3-methyl-3-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-2-one
CID 79051555
1-[(1R)-3-methyl-1-(4-propan-2-ylphenyl)butyl]piperazine;dihydrochloride
CID 171286892

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine (CID 95477555) is 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine is CC(C)c1ccc(CCC(C)(C)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine?
The InChIKey is HYYIMGWUETUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15(2)17-7-5-16(6-8-17)9-10-18(3,4)20-13-11-19-12-14-20/h5-8,15,19H,9-14H2,1-4H3.
What are the key properties of 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine?
1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine has a molecular weight of 274.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4-propan-2-ylphenyl)butan-2-yl]piperazine is sourced from PubChem (CID 95477555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).