1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine

C20H34N2 — CID 119050260

IUPAC1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CN(C)CCN1CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H34N2/c1-16(2)19-15-21(6)13-14-22(19)12-11-17-7-9-18(10-8-17)20(3,4)5/h7-10,16,19H,11-15H2,1-6H3
InChIKeyGCFDYNQWCXQJQZ-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.80
Rot. Bonds4

About 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine

1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine (PubChem CID 119050260) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine
PubChem CID119050260
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CN(C)CCN1CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H34N2/c1-16(2)19-15-21(6)13-14-22(19)12-11-17-7-9-18(10-8-17)20(3,4)5/h7-10,16,19H,11-15H2,1-6H3
InChIKeyGCFDYNQWCXQJQZ-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine (CID 119050260) is 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine is CC(C)C1CN(C)CCN1CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine?
The InChIKey is GCFDYNQWCXQJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-16(2)19-15-21(6)13-14-22(19)12-11-17-7-9-18(10-8-17)20(3,4)5/h7-10,16,19H,11-15H2,1-6H3.
What are the key properties of 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine?
1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine has a molecular weight of 302.51 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)ethyl]-4-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 119050260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).