2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine

C13H19FN2 — CID 83822888

IUPAC2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2/c14-12-3-5-13(6-4-12)16-9-1-2-11(10-16)7-8-15/h3-6,11H,1-2,7-10,15H2
InChIKeyIALBFUMWMIMMQT-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.39
Rot. Bonds3

About 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine

2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine (PubChem CID 83822888) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
PubChem CID83822888
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2/c14-12-3-5-13(6-4-12)16-9-1-2-11(10-16)7-8-15/h3-6,11H,1-2,7-10,15H2
InChIKeyIALBFUMWMIMMQT-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824657
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
[3-(2-aminoethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 63766318
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
5-[3-(2-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500524
2-[1-(3,5-difluoro-2-nitrophenyl)piperidin-3-yl]ethanamine
CID 115509749
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine (CID 83822888) is 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine is NCCC1CCCN(c2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine?
The InChIKey is IALBFUMWMIMMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c14-12-3-5-13(6-4-12)16-9-1-2-11(10-16)7-8-15/h3-6,11H,1-2,7-10,15H2.
What are the key properties of 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine?
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 83822888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).