[4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine

C13H19FN2 — CID 105479469

IUPAC[4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine
SMILESCN1CCCC(F)(c2ccc(CN)cc2)C1
InChIInChI=1S/C13H19FN2/c1-16-8-2-7-13(14,10-16)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeySJGOSICQZGYCDH-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.04
Rot. Bonds2

About [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine

[4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine (PubChem CID 105479469) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine
PubChem CID105479469
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name[4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine
SMILESCN1CCCC(F)(c2ccc(CN)cc2)C1
InChIInChI=1S/C13H19FN2/c1-16-8-2-7-13(14,10-16)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10,15H2,1H3
InChIKeySJGOSICQZGYCDH-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 [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine?
The IUPAC name of [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine (CID 105479469) is [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine is CN1CCCC(F)(c2ccc(CN)cc2)C1.
What is the InChIKey of [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine?
The InChIKey is SJGOSICQZGYCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16-8-2-7-13(14,10-16)12-5-3-11(9-15)4-6-12/h3-6H,2,7-10,15H2,1H3.
What are the key properties of [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine?
[4-(3-fluoro-1-methylpiperidin-3-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 [4-(3-fluoro-1-methylpiperidin-3-yl)phenyl]methanamine is sourced from PubChem (CID 105479469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).