1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine

C13H19FN2O2 — CID 65364246

IUPAC1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine
SMILESCOCOc1ccc(F)cc1N1CCC(N)CC1
InChIInChI=1S/C13H19FN2O2/c1-17-9-18-13-3-2-10(14)8-12(13)16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyWPRIXPFJPCMYLZ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.74
Rot. Bonds4

About 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine

1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine (PubChem CID 65364246) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine
PubChem CID65364246
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine
SMILESCOCOc1ccc(F)cc1N1CCC(N)CC1
InChIInChI=1S/C13H19FN2O2/c1-17-9-18-13-3-2-10(14)8-12(13)16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,9,15H2,1H3
InChIKeyWPRIXPFJPCMYLZ-UHFFFAOYSA-N
XLogP1.74
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine (CID 65364246) is 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine is COCOc1ccc(F)cc1N1CCC(N)CC1.
What is the InChIKey of 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine?
The InChIKey is WPRIXPFJPCMYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-17-9-18-13-3-2-10(14)8-12(13)16-6-4-11(15)5-7-16/h2-3,8,11H,4-7,9,15H2,1H3.
What are the key properties of 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine?
1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine has a molecular weight of 254.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(methoxymethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 65364246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).