1-methyl-4-(oxepan-3-yl)piperazine

C11H22N2O — CID 89190211

IUPAC1-methyl-4-(oxepan-3-yl)piperazine
SMILESCN1CCN(C2CCCCOC2)CC1
InChIInChI=1S/C11H22N2O/c1-12-5-7-13(8-6-12)11-4-2-3-9-14-10-11/h11H,2-10H2,1H3
InChIKeyNNZSKKQCZGVYMF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds1

About 1-methyl-4-(oxepan-3-yl)piperazine

1-methyl-4-(oxepan-3-yl)piperazine (PubChem CID 89190211) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-4-(oxepan-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(oxepan-3-yl)piperazine
PubChem CID89190211
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-methyl-4-(oxepan-3-yl)piperazine
SMILESCN1CCN(C2CCCCOC2)CC1
InChIInChI=1S/C11H22N2O/c1-12-5-7-13(8-6-12)11-4-2-3-9-14-10-11/h11H,2-10H2,1H3
InChIKeyNNZSKKQCZGVYMF-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-(oxepan-3-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-methyl-4-(oxepan-3-yl)piperazine?
The IUPAC name of 1-methyl-4-(oxepan-3-yl)piperazine (CID 89190211) is 1-methyl-4-(oxepan-3-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(oxepan-3-yl)piperazine?
The canonical SMILES for 1-methyl-4-(oxepan-3-yl)piperazine is CN1CCN(C2CCCCOC2)CC1.
What is the InChIKey of 1-methyl-4-(oxepan-3-yl)piperazine?
The InChIKey is NNZSKKQCZGVYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-5-7-13(8-6-12)11-4-2-3-9-14-10-11/h11H,2-10H2,1H3.
What are the key properties of 1-methyl-4-(oxepan-3-yl)piperazine?
1-methyl-4-(oxepan-3-yl)piperazine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxepan-3-yl)piperazine is sourced from PubChem (CID 89190211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).