3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline

C15H22N2O2 — CID 118980027

IUPAC3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
SMILESCOc1cc(N)ccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C15H22N2O2/c1-18-15-8-12(16)2-3-14(15)11-4-6-17(7-5-11)13-9-19-10-13/h2-3,8,11,13H,4-7,9-10,16H2,1H3
InChIKeyDLRIFKPQIUPXDN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.86
Rot. Bonds3

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

3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline (PubChem CID 118980027) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
PubChem CID118980027
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
SMILESCOc1cc(N)ccc1C1CCN(C2COC2)CC1
InChIInChI=1S/C15H22N2O2/c1-18-15-8-12(16)2-3-14(15)11-4-6-17(7-5-11)13-9-19-10-13/h2-3,8,11,13H,4-7,9-10,16H2,1H3
InChIKeyDLRIFKPQIUPXDN-UHFFFAOYSA-N
XLogP1.86
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
The IUPAC name of 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline (CID 118980027) is 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline.
What is the SMILES notation for 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
The canonical SMILES for 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline is COc1cc(N)ccc1C1CCN(C2COC2)CC1.
What is the InChIKey of 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
The InChIKey is DLRIFKPQIUPXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-15-8-12(16)2-3-14(15)11-4-6-17(7-5-11)13-9-19-10-13/h2-3,8,11,13H,4-7,9-10,16H2,1H3.
What are the key properties of 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline?
3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline has a molecular weight of 262.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline is sourced from PubChem (CID 118980027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).