1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine

C17H28N2 — CID 116856530

IUPAC1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine
SMILESCc1ccc(C(C)C)cc1C1(C)CN(C)CCN1C
InChIInChI=1S/C17H28N2/c1-13(2)15-8-7-14(3)16(11-15)17(4)12-18(5)9-10-19(17)6/h7-8,11,13H,9-10,12H2,1-6H3
InChIKeyKYYCVUNRYSDVFV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds2

About 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine

1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine (PubChem CID 116856530) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine
PubChem CID116856530
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine
SMILESCc1ccc(C(C)C)cc1C1(C)CN(C)CCN1C
InChIInChI=1S/C17H28N2/c1-13(2)15-8-7-14(3)16(11-15)17(4)12-18(5)9-10-19(17)6/h7-8,11,13H,9-10,12H2,1-6H3
InChIKeyKYYCVUNRYSDVFV-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine?
The IUPAC name of 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine (CID 116856530) is 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine?
The canonical SMILES for 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine is Cc1ccc(C(C)C)cc1C1(C)CN(C)CCN1C.
What is the InChIKey of 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine?
The InChIKey is KYYCVUNRYSDVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)15-8-7-14(3)16(11-15)17(4)12-18(5)9-10-19(17)6/h7-8,11,13H,9-10,12H2,1-6H3.
What are the key properties of 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine?
1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-2-(2-methyl-5-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 116856530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).