[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine

C13H19FN2 — CID 84725142

IUPAC[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
SMILESCN1CCC(F)(c2ccccc2CN)CC1
InChIInChI=1S/C13H19FN2/c1-16-8-6-13(14,7-9-16)12-5-3-2-4-11(12)10-15/h2-5H,6-10,15H2,1H3
InChIKeyKITVHNSNRFEFBI-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.04
Rot. Bonds2

About [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine

[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine (PubChem CID 84725142) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
PubChem CID84725142
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine
SMILESCN1CCC(F)(c2ccccc2CN)CC1
InChIInChI=1S/C13H19FN2/c1-16-8-6-13(14,7-9-16)12-5-3-2-4-11(12)10-15/h2-5H,6-10,15H2,1H3
InChIKeyKITVHNSNRFEFBI-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine?
The IUPAC name of [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine (CID 84725142) is [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine is CN1CCC(F)(c2ccccc2CN)CC1.
What is the InChIKey of [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine?
The InChIKey is KITVHNSNRFEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16-8-6-13(14,7-9-16)12-5-3-2-4-11(12)10-15/h2-5H,6-10,15H2,1H3.
What are the key properties of [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine?
[2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine has a molecular weight of 222.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-1-methylpiperidin-4-yl)phenyl]methanamine is sourced from PubChem (CID 84725142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).