3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine

C9H19FN2 — CID 155238211

IUPAC3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
SMILESCN1CCCC(F)(CCCN)C1
InChIInChI=1S/C9H19FN2/c1-12-7-3-5-9(10,8-12)4-2-6-11/h2-8,11H2,1H3
InChIKeySGFWIVUBIQDTBS-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.16
Rot. Bonds3

About 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine

3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine (PubChem CID 155238211) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
PubChem CID155238211
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine
SMILESCN1CCCC(F)(CCCN)C1
InChIInChI=1S/C9H19FN2/c1-12-7-3-5-9(10,8-12)4-2-6-11/h2-8,11H2,1H3
InChIKeySGFWIVUBIQDTBS-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
CID 150512700
2-[3-(fluoromethyl)-1-methylpiperidin-3-yl]ethanamine
CID 115014342
tert-butyl 3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylate
CID 126738763
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299
4-[(3-fluoro-1-methylpiperidin-3-yl)methyl]aniline
CID 105479479
3-(fluoromethyl)-1-methylpiperidin-3-amine
CID 84762965
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 178011017
3-[1-(2-aminoethyl)cyclobutyl]propan-1-amine
CID 140811736
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine?
The IUPAC name of 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine (CID 155238211) is 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine is CN1CCCC(F)(CCCN)C1.
What is the InChIKey of 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine?
The InChIKey is SGFWIVUBIQDTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-12-7-3-5-9(10,8-12)4-2-6-11/h2-8,11H2,1H3.
What are the key properties of 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine?
3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine has a molecular weight of 174.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1-methylpiperidin-3-yl)propan-1-amine is sourced from PubChem (CID 155238211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).