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

C13H25N3O2 — CID 156623832

IUPAC4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine
SMILESNC1CNCCC1O[C@H]1CCCN(C2COC2)C1
InChIInChI=1S/C13H25N3O2/c14-12-6-15-4-3-13(12)18-11-2-1-5-16(7-11)10-8-17-9-10/h10-13,15H,1-9,14H2/t11-,12?,13?/m0/s1
InChIKeyPFLXUTFRPBSJPV-HIFPTAJRSA-N
MW255.36 g/mol
LogP-0.44
Rot. Bonds3

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

4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine (PubChem CID 156623832) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine.

Molecular Properties

Compound Name4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine
PubChem CID156623832
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine
SMILESNC1CNCCC1O[C@H]1CCCN(C2COC2)C1
InChIInChI=1S/C13H25N3O2/c14-12-6-15-4-3-13(12)18-11-2-1-5-16(7-11)10-8-17-9-10/h10-13,15H,1-9,14H2/t11-,12?,13?/m0/s1
InChIKeyPFLXUTFRPBSJPV-HIFPTAJRSA-N
XLogP-0.44
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(Piperidin-4-yloxy)ethyl]morpholine
CID 43167820
rac-(4aR,8aS)-4-methyl-octahydro-2H-pyrido(4,3-b)(1,4)oxazine
CID 90430723
1-(2-methoxyethyl)-N-(oxan-4-yl)piperidin-3-amine
CID 71926595
4-(3-Piperidyl)morpholine
CID 21327197
5-Fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
CID 123439098
1-Ethyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
CID 130279917
1-Butyl-5-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]oxypiperidin-3-amine
CID 134339939
5-Fluoro-4-(1-methylpiperidin-4-yl)oxypiperidin-3-amine
CID 134577936
2-Methyl-4-[2-[1-(3-methylmorpholin-2-yl)propan-2-yloxy]ethyl]morpholine
CID 19848028
3-Methyl-2-[2-[2-(3-methylmorpholin-4-yl)ethoxy]propyl]morpholine
CID 19848033
1-ethyl-5-methoxy-N-methylpiperidin-3-amine
CID 20705141
5-methoxy-N,1-dimethylpiperidin-3-amine
CID 20705158

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine?
The IUPAC name of 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine (CID 156623832) is 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine.
What is the SMILES notation for 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine?
The canonical SMILES for 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine is NC1CNCCC1O[C@H]1CCCN(C2COC2)C1.
What is the InChIKey of 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine?
The InChIKey is PFLXUTFRPBSJPV-HIFPTAJRSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-12-6-15-4-3-13(12)18-11-2-1-5-16(7-11)10-8-17-9-10/h10-13,15H,1-9,14H2/t11-,12?,13?/m0/s1.
What are the key properties of 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine?
4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine has a molecular weight of 255.36 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(oxetan-3-yl)piperidin-3-yl]oxypiperidin-3-amine is sourced from PubChem (CID 156623832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).