4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine

C13H25N3O — CID 140644028

IUPAC4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine
SMILESNC1CNCCC1C1CCN(C2COC2)CC1
InChIInChI=1S/C13H25N3O/c14-13-7-15-4-1-12(13)10-2-5-16(6-3-10)11-8-17-9-11/h10-13,15H,1-9,14H2
InChIKeyHKYZTLFRDNIVPS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.03
Rot. Bonds2

About 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine

4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine (PubChem CID 140644028) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine
PubChem CID140644028
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine
SMILESNC1CNCCC1C1CCN(C2COC2)CC1
InChIInChI=1S/C13H25N3O/c14-13-7-15-4-1-12(13)10-2-5-16(6-3-10)11-8-17-9-11/h10-13,15H,1-9,14H2
InChIKeyHKYZTLFRDNIVPS-UHFFFAOYSA-N
XLogP0.03
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine?
The IUPAC name of 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine (CID 140644028) is 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine.
What is the SMILES notation for 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine?
The canonical SMILES for 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine is NC1CNCCC1C1CCN(C2COC2)CC1.
What is the InChIKey of 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine?
The InChIKey is HKYZTLFRDNIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-13-7-15-4-1-12(13)10-2-5-16(6-3-10)11-8-17-9-11/h10-13,15H,1-9,14H2.
What are the key properties of 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine?
4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine has a molecular weight of 239.36 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxetan-3-yl)piperidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 140644028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).