3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine

C17H28N2 — CID 64923787

IUPAC3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
SMILESCC(C)CC1CN(c2ccccc2C(C)C)CCN1
InChIInChI=1S/C17H28N2/c1-13(2)11-15-12-19(10-9-18-15)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyUGDZPZBPDABCHW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.63
Rot. Bonds4

About 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine

3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine (PubChem CID 64923787) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
PubChem CID64923787
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine
SMILESCC(C)CC1CN(c2ccccc2C(C)C)CCN1
InChIInChI=1S/C17H28N2/c1-13(2)11-15-12-19(10-9-18-15)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,18H,9-12H2,1-4H3
InChIKeyUGDZPZBPDABCHW-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine?
The IUPAC name of 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine (CID 64923787) is 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine.
What is the SMILES notation for 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine?
The canonical SMILES for 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine is CC(C)CC1CN(c2ccccc2C(C)C)CCN1.
What is the InChIKey of 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine?
The InChIKey is UGDZPZBPDABCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)11-15-12-19(10-9-18-15)17-8-6-5-7-16(17)14(3)4/h5-8,13-15,18H,9-12H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine?
3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine has a molecular weight of 260.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-(2-propan-2-ylphenyl)piperazine is sourced from PubChem (CID 64923787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).