1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine

C20H42N2O — CID 170569460

IUPAC1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine
SMILESCCC(CCC(C)CCCN1CCN(C(C)C)CC1)OC(C)C
InChIInChI=1S/C20H42N2O/c1-7-20(23-18(4)5)11-10-19(6)9-8-12-21-13-15-22(16-14-21)17(2)3/h17-20H,7-16H2,1-6H3
InChIKeyKXUVCCDEHXVBGQ-UHFFFAOYSA-N
MW326.57 g/mol
LogP4.41
Rot. Bonds11

About 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine

1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine (PubChem CID 170569460) has the molecular formula C20H42N2O and a molecular weight of 326.57 g/mol. Its IUPAC name is 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine
PubChem CID170569460
Molecular FormulaC20H42N2O
Molecular Weight326.57 g/mol
Exact Mass326.33
IUPAC Name1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine
SMILESCCC(CCC(C)CCCN1CCN(C(C)C)CC1)OC(C)C
InChIInChI=1S/C20H42N2O/c1-7-20(23-18(4)5)11-10-19(6)9-8-12-21-13-15-22(16-14-21)17(2)3/h17-20H,7-16H2,1-6H3
InChIKeyKXUVCCDEHXVBGQ-UHFFFAOYSA-N
XLogP4.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.57
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine (CID 170569460) is 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine is CCC(CCC(C)CCCN1CCN(C(C)C)CC1)OC(C)C.
What is the InChIKey of 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine?
The InChIKey is KXUVCCDEHXVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O/c1-7-20(23-18(4)5)11-10-19(6)9-8-12-21-13-15-22(16-14-21)17(2)3/h17-20H,7-16H2,1-6H3.
What are the key properties of 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine?
1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine has a molecular weight of 326.57 g/mol, XLogP of 4.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-7-propan-2-yloxynonyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 170569460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).