4-methyl-N-(oxetan-3-yl)piperazin-1-amine

C8H17N3O — CID 83008980

IUPAC4-methyl-N-(oxetan-3-yl)piperazin-1-amine
SMILESCN1CCN(NC2COC2)CC1
InChIInChI=1S/C8H17N3O/c1-10-2-4-11(5-3-10)9-8-6-12-7-8/h8-9H,2-7H2,1H3
InChIKeyLKDPVVKUTBWGHR-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.86
Rot. Bonds2

About 4-methyl-N-(oxetan-3-yl)piperazin-1-amine

4-methyl-N-(oxetan-3-yl)piperazin-1-amine (PubChem CID 83008980) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-methyl-N-(oxetan-3-yl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(oxetan-3-yl)piperazin-1-amine
PubChem CID83008980
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-methyl-N-(oxetan-3-yl)piperazin-1-amine
SMILESCN1CCN(NC2COC2)CC1
InChIInChI=1S/C8H17N3O/c1-10-2-4-11(5-3-10)9-8-6-12-7-8/h8-9H,2-7H2,1H3
InChIKeyLKDPVVKUTBWGHR-UHFFFAOYSA-N
XLogP-0.86
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxetan-3-yl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(oxetan-3-yl)piperazin-1-amine (CID 83008980) is 4-methyl-N-(oxetan-3-yl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(oxetan-3-yl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(oxetan-3-yl)piperazin-1-amine is CN1CCN(NC2COC2)CC1.
What is the InChIKey of 4-methyl-N-(oxetan-3-yl)piperazin-1-amine?
The InChIKey is LKDPVVKUTBWGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10-2-4-11(5-3-10)9-8-6-12-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 4-methyl-N-(oxetan-3-yl)piperazin-1-amine?
4-methyl-N-(oxetan-3-yl)piperazin-1-amine has a molecular weight of 171.24 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxetan-3-yl)piperazin-1-amine is sourced from PubChem (CID 83008980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).