1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine

C12H26N2O — CID 146180745

IUPAC1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine
SMILESCOC(C)(C)CC(C)(C)N1CCNCC1
InChIInChI=1S/C12H26N2O/c1-11(2,10-12(3,4)15-5)14-8-6-13-7-9-14/h13H,6-10H2,1-5H3
InChIKeyNBZHXOOOVMIGOP-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine

1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine (PubChem CID 146180745) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine.

Molecular Properties

Compound Name1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine
PubChem CID146180745
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine
SMILESCOC(C)(C)CC(C)(C)N1CCNCC1
InChIInChI=1S/C12H26N2O/c1-11(2,10-12(3,4)15-5)14-8-6-13-7-9-14/h13H,6-10H2,1-5H3
InChIKeyNBZHXOOOVMIGOP-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine 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-methoxy-2,4-dimethylpentan-2-yl)piperazine?
The IUPAC name of 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine (CID 146180745) is 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine.
What is the SMILES notation for 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine?
The canonical SMILES for 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine is COC(C)(C)CC(C)(C)N1CCNCC1.
What is the InChIKey of 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine?
The InChIKey is NBZHXOOOVMIGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,10-12(3,4)15-5)14-8-6-13-7-9-14/h13H,6-10H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine?
1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,4-dimethylpentan-2-yl)piperazine is sourced from PubChem (CID 146180745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).