2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine

C17H28N2 — CID 64936332

IUPAC2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
SMILESCC(C)c1cccc(N2CC(C(C)C)NCC2C)c1
InChIInChI=1S/C17H28N2/c1-12(2)15-7-6-8-16(9-15)19-11-17(13(3)4)18-10-14(19)5/h6-9,12-14,17-18H,10-11H2,1-5H3
InChIKeyGXBQHYIIAYAPKG-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.63
Rot. Bonds3

About 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine

2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine (PubChem CID 64936332) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
PubChem CID64936332
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
SMILESCC(C)c1cccc(N2CC(C(C)C)NCC2C)c1
InChIInChI=1S/C17H28N2/c1-12(2)15-7-6-8-16(9-15)19-11-17(13(3)4)18-10-14(19)5/h6-9,12-14,17-18H,10-11H2,1-5H3
InChIKeyGXBQHYIIAYAPKG-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
The IUPAC name of 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine (CID 64936332) is 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine is CC(C)c1cccc(N2CC(C(C)C)NCC2C)c1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
The InChIKey is GXBQHYIIAYAPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)15-7-6-8-16(9-15)19-11-17(13(3)4)18-10-14(19)5/h6-9,12-14,17-18H,10-11H2,1-5H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine?
2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64936332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).