2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine

C9H19FN2 — CID 115014342

IUPAC2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
SMILESCN1CCCC(CF)(CCN)C1
InChIInChI=1S/C9H19FN2/c1-12-6-2-3-9(7-10,8-12)4-5-11/h2-8,11H2,1H3
InChIKeyLYOVIODJNOQILF-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.02
Rot. Bonds3

About 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine

2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine (PubChem CID 115014342) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
PubChem CID115014342
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
SMILESCN1CCCC(CF)(CCN)C1
InChIInChI=1S/C9H19FN2/c1-12-6-2-3-9(7-10,8-12)4-5-11/h2-8,11H2,1H3
InChIKeyLYOVIODJNOQILF-UHFFFAOYSA-N
XLogP1.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
CID 155238211
[3-(2-aminoethyl)-1-methylpyrrolidin-3-yl]methanol
CID 115012399
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965
[4-(fluoromethyl)-1-methylpiperidin-4-yl]methanamine
CID 83854316
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
2-[3-(fluoromethyl)thian-3-yl]ethanamine
CID 115015000
1-(3-ethyl-1-methylpiperidin-3-yl)-N,N-dimethylmethanamine
CID 143448779
3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
2-[4-(fluoromethyl)piperidin-4-yl]ethanamine
CID 115012569
(3-cyclopropyl-1-methylpiperidin-3-yl)methanamine
CID 83816076

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine?
The IUPAC name of 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine (CID 115014342) is 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine?
The canonical SMILES for 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine is CN1CCCC(CF)(CCN)C1.
What is the InChIKey of 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine?
The InChIKey is LYOVIODJNOQILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-12-6-2-3-9(7-10,8-12)4-5-11/h2-8,11H2,1H3.
What are the key properties of 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine?
2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine has a molecular weight of 174.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine is sourced from PubChem (CID 115014342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).