1-(oxolan-2-ylmethyl)piperazine

C9H18N2O — CID 2737265

IUPAC1-(oxolan-2-ylmethyl)piperazine
SMILESC1COC(CN2CCNCC2)C1
InChIInChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyGKBPGHNDWVURBD-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds2

About 1-(oxolan-2-ylmethyl)piperazine

1-(oxolan-2-ylmethyl)piperazine (PubChem CID 2737265) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)piperazine
PubChem CID2737265
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(oxolan-2-ylmethyl)piperazine
SMILESC1COC(CN2CCNCC2)C1
InChIInChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2
InChIKeyGKBPGHNDWVURBD-UHFFFAOYSA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)piperazine?
The IUPAC name of 1-(oxolan-2-ylmethyl)piperazine (CID 2737265) is 1-(oxolan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)piperazine is C1COC(CN2CCNCC2)C1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)piperazine?
The InChIKey is GKBPGHNDWVURBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2.
What are the key properties of 1-(oxolan-2-ylmethyl)piperazine?
1-(oxolan-2-ylmethyl)piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)piperazine is sourced from PubChem (CID 2737265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).