4-(4-methylpiperazin-1-yl)oxolan-3-amine

C9H19N3O — CID 67446902

IUPAC4-(4-methylpiperazin-1-yl)oxolan-3-amine
SMILESCN1CCN(C2COCC2N)CC1
InChIInChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)9-7-13-6-8(9)10/h8-9H,2-7,10H2,1H3
InChIKeyOJANKABONAWVQQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-1.04
Rot. Bonds1

About 4-(4-methylpiperazin-1-yl)oxolan-3-amine

4-(4-methylpiperazin-1-yl)oxolan-3-amine (PubChem CID 67446902) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)oxolan-3-amine
PubChem CID67446902
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-(4-methylpiperazin-1-yl)oxolan-3-amine
SMILESCN1CCN(C2COCC2N)CC1
InChIInChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)9-7-13-6-8(9)10/h8-9H,2-7,10H2,1H3
InChIKeyOJANKABONAWVQQ-UHFFFAOYSA-N
XLogP-1.04
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)oxolan-3-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)oxolan-3-amine (CID 67446902) is 4-(4-methylpiperazin-1-yl)oxolan-3-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)oxolan-3-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)oxolan-3-amine is CN1CCN(C2COCC2N)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)oxolan-3-amine?
The InChIKey is OJANKABONAWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-2-4-12(5-3-11)9-7-13-6-8(9)10/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)oxolan-3-amine?
4-(4-methylpiperazin-1-yl)oxolan-3-amine has a molecular weight of 185.27 g/mol, XLogP of -1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)oxolan-3-amine is sourced from PubChem (CID 67446902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).