3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine

C11H23FN2O — CID 170951897

IUPAC3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine
SMILESCCN1CCC(COCCCNF)CC1
InChIInChI=1S/C11H23FN2O/c1-2-14-7-4-11(5-8-14)10-15-9-3-6-13-12/h11,13H,2-10H2,1H3
InChIKeySCOGAXPFBQFDDG-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.60
Rot. Bonds7

About 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine

3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine (PubChem CID 170951897) has the molecular formula C11H23FN2O and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine
PubChem CID170951897
Molecular FormulaC11H23FN2O
Molecular Weight218.32 g/mol
Exact Mass218.18
IUPAC Name3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine
SMILESCCN1CCC(COCCCNF)CC1
InChIInChI=1S/C11H23FN2O/c1-2-14-7-4-11(5-8-14)10-15-9-3-6-13-12/h11,13H,2-10H2,1H3
InChIKeySCOGAXPFBQFDDG-UHFFFAOYSA-N
XLogP1.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine (CID 170951897) is 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine is CCN1CCC(COCCCNF)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine?
The InChIKey is SCOGAXPFBQFDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2O/c1-2-14-7-4-11(5-8-14)10-15-9-3-6-13-12/h11,13H,2-10H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine?
3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine has a molecular weight of 218.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methoxy]-N-fluoropropan-1-amine is sourced from PubChem (CID 170951897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).