4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine

C13H24N4O — CID 134321617

IUPAC4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine
SMILESNC1CNCCC1N1CCN(C2COC2)C2CC21
InChIInChI=1S/C13H24N4O/c14-10-6-15-2-1-11(10)17-4-3-16(9-7-18-8-9)12-5-13(12)17/h9-13,15H,1-8,14H2
InChIKeyWAYHCCOKXKTQDX-UHFFFAOYSA-N
MW252.36 g/mol
LogP-1.17
Rot. Bonds2

About 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine

4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine (PubChem CID 134321617) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine
PubChem CID134321617
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine
SMILESNC1CNCCC1N1CCN(C2COC2)C2CC21
InChIInChI=1S/C13H24N4O/c14-10-6-15-2-1-11(10)17-4-3-16(9-7-18-8-9)12-5-13(12)17/h9-13,15H,1-8,14H2
InChIKeyWAYHCCOKXKTQDX-UHFFFAOYSA-N
XLogP-1.17
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine?
The IUPAC name of 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine (CID 134321617) is 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine.
What is the SMILES notation for 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine?
The canonical SMILES for 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine is NC1CNCCC1N1CCN(C2COC2)C2CC21.
What is the InChIKey of 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine?
The InChIKey is WAYHCCOKXKTQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c14-10-6-15-2-1-11(10)17-4-3-16(9-7-18-8-9)12-5-13(12)17/h9-13,15H,1-8,14H2.
What are the key properties of 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine?
4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(oxetan-3-yl)-2,5-diazabicyclo[4.1.0]heptan-2-yl]piperidin-3-amine is sourced from PubChem (CID 134321617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).