4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine

C12H25FN2O — CID 103392680

IUPAC4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CC(C)CCN1
InChIInChI=1S/C12H25FN2O/c1-10-4-7-15-11(8-10)12(13,9-16-2)5-3-6-14/h10-11,15H,3-9,14H2,1-2H3
InChIKeyJHQHNHDVWXYQQU-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.47
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine (PubChem CID 103392680) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine
PubChem CID103392680
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC Name4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)C1CC(C)CCN1
InChIInChI=1S/C12H25FN2O/c1-10-4-7-15-11(8-10)12(13,9-16-2)5-3-6-14/h10-11,15H,3-9,14H2,1-2H3
InChIKeyJHQHNHDVWXYQQU-UHFFFAOYSA-N
XLogP1.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine (CID 103392680) is 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine is COCC(F)(CCCN)C1CC(C)CCN1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine?
The InChIKey is JHQHNHDVWXYQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O/c1-10-4-7-15-11(8-10)12(13,9-16-2)5-3-6-14/h10-11,15H,3-9,14H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine has a molecular weight of 232.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(4-methylpiperidin-2-yl)pentan-1-amine is sourced from PubChem (CID 103392680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).