2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine

C9H19FN2 — CID 115014341

IUPAC2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine
SMILESCC(F)C1(CCN)CCCNC1
InChIInChI=1S/C9H19FN2/c1-8(10)9(4-5-11)3-2-6-12-7-9/h8,12H,2-7,11H2,1H3
InChIKeyUODYWDCXQALONN-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.06
Rot. Bonds3

About 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine

2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine (PubChem CID 115014341) has the molecular formula C9H19FN2 and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine
PubChem CID115014341
Molecular FormulaC9H19FN2
Molecular Weight174.26 g/mol
Exact Mass174.15
IUPAC Name2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine
SMILESCC(F)C1(CCN)CCCNC1
InChIInChI=1S/C9H19FN2/c1-8(10)9(4-5-11)3-2-6-12-7-9/h8,12H,2-7,11H2,1H3
InChIKeyUODYWDCXQALONN-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(3-ethylpiperidin-3-yl)ethanamine
CID 143578860
(3S)-3-(difluoromethyl)-3-methylpiperidine
CID 58874293
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
3-fluoro-3-(2,2,3,3-tetrafluoropropyl)piperidine
CID 127017269
3-(difluoromethyl)-3-methylazepane
CID 105432135
2-(3-methylpiperidin-3-yl)oxyethanamine
CID 143190945
2-(2-fluoropropan-2-yl)-5-azaspiro[2.5]octane
CID 115013917
3,3-difluoroazepane;ethane
CID 142117389
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
CID 84719189
3-(aminomethyl)-N-methylpiperidin-3-amine
CID 105428576

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine (CID 115014341) is 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine is CC(F)C1(CCN)CCCNC1.
What is the InChIKey of 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine?
The InChIKey is UODYWDCXQALONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19FN2/c1-8(10)9(4-5-11)3-2-6-12-7-9/h8,12H,2-7,11H2,1H3.
What are the key properties of 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine?
2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine has a molecular weight of 174.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-fluoroethyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 115014341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).