3-(4-propylpiperazin-1-yl)oxan-4-amine

C12H25N3O — CID 43608787

IUPAC3-(4-propylpiperazin-1-yl)oxan-4-amine
SMILESCCCN1CCN(C2COCCC2N)CC1
InChIInChI=1S/C12H25N3O/c1-2-4-14-5-7-15(8-6-14)12-10-16-9-3-11(12)13/h11-12H,2-10,13H2,1H3
InChIKeyYZPBOWJELKYUBF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds3

About 3-(4-propylpiperazin-1-yl)oxan-4-amine

3-(4-propylpiperazin-1-yl)oxan-4-amine (PubChem CID 43608787) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(4-propylpiperazin-1-yl)oxan-4-amine.

Molecular Properties

Compound Name3-(4-propylpiperazin-1-yl)oxan-4-amine
PubChem CID43608787
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(4-propylpiperazin-1-yl)oxan-4-amine
SMILESCCCN1CCN(C2COCCC2N)CC1
InChIInChI=1S/C12H25N3O/c1-2-4-14-5-7-15(8-6-14)12-10-16-9-3-11(12)13/h11-12H,2-10,13H2,1H3
InChIKeyYZPBOWJELKYUBF-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-propylpiperazin-1-yl)oxan-4-amine 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 3-(4-propylpiperazin-1-yl)oxan-4-amine?
The IUPAC name of 3-(4-propylpiperazin-1-yl)oxan-4-amine (CID 43608787) is 3-(4-propylpiperazin-1-yl)oxan-4-amine.
What is the SMILES notation for 3-(4-propylpiperazin-1-yl)oxan-4-amine?
The canonical SMILES for 3-(4-propylpiperazin-1-yl)oxan-4-amine is CCCN1CCN(C2COCCC2N)CC1.
What is the InChIKey of 3-(4-propylpiperazin-1-yl)oxan-4-amine?
The InChIKey is YZPBOWJELKYUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-4-14-5-7-15(8-6-14)12-10-16-9-3-11(12)13/h11-12H,2-10,13H2,1H3.
What are the key properties of 3-(4-propylpiperazin-1-yl)oxan-4-amine?
3-(4-propylpiperazin-1-yl)oxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylpiperazin-1-yl)oxan-4-amine is sourced from PubChem (CID 43608787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).