[4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine

C13H26FN3 — CID 115055718

IUPAC[4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine
SMILESCN1CCC(N2CCCC(F)(CN)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-16-8-3-12(4-9-16)17-7-2-5-13(14,11-15)6-10-17/h12H,2-11,15H2,1H3
InChIKeyHYAYMMSOXLRGSQ-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.23
Rot. Bonds2

About [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine

[4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine (PubChem CID 115055718) has the molecular formula C13H26FN3 and a molecular weight of 243.37 g/mol. Its IUPAC name is [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine
PubChem CID115055718
Molecular FormulaC13H26FN3
Molecular Weight243.37 g/mol
Exact Mass243.21
IUPAC Name[4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine
SMILESCN1CCC(N2CCCC(F)(CN)CC2)CC1
InChIInChI=1S/C13H26FN3/c1-16-8-3-12(4-9-16)17-7-2-5-13(14,11-15)6-10-17/h12H,2-11,15H2,1H3
InChIKeyHYAYMMSOXLRGSQ-UHFFFAOYSA-N
XLogP1.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine?
The IUPAC name of [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine (CID 115055718) is [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine.
What is the SMILES notation for [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine?
The canonical SMILES for [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine is CN1CCC(N2CCCC(F)(CN)CC2)CC1.
What is the InChIKey of [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine?
The InChIKey is HYAYMMSOXLRGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN3/c1-16-8-3-12(4-9-16)17-7-2-5-13(14,11-15)6-10-17/h12H,2-11,15H2,1H3.
What are the key properties of [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine?
[4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine has a molecular weight of 243.37 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(1-methylpiperidin-4-yl)azepan-4-yl]methanamine is sourced from PubChem (CID 115055718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).