1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine

C9H19FN2O — CID 69000244

IUPAC1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine
SMILESCOC1CCN(CC(C)N)CC1F
InChIInChI=1S/C9H19FN2O/c1-7(11)5-12-4-3-9(13-2)8(10)6-12/h7-9H,3-6,11H2,1-2H3
InChIKeyQQVDKILXZMZDQU-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.39
Rot. Bonds3

About 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine

1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine (PubChem CID 69000244) has the molecular formula C9H19FN2O and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine
PubChem CID69000244
Molecular FormulaC9H19FN2O
Molecular Weight190.26 g/mol
Exact Mass190.15
IUPAC Name1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine
SMILESCOC1CCN(CC(C)N)CC1F
InChIInChI=1S/C9H19FN2O/c1-7(11)5-12-4-3-9(13-2)8(10)6-12/h7-9H,3-6,11H2,1-2H3
InChIKeyQQVDKILXZMZDQU-UHFFFAOYSA-N
XLogP0.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine (CID 69000244) is 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine is COC1CCN(CC(C)N)CC1F.
What is the InChIKey of 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine?
The InChIKey is QQVDKILXZMZDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2O/c1-7(11)5-12-4-3-9(13-2)8(10)6-12/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine?
1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine has a molecular weight of 190.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxypiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 69000244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).