2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

C15H23FN2 — CID 106532762

IUPAC2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCCC1CCN(c2cc(F)cc(CCN)c2)CC1
InChIInChI=1S/C15H23FN2/c1-2-12-4-7-18(8-5-12)15-10-13(3-6-17)9-14(16)11-15/h9-12H,2-8,17H2,1H3
InChIKeyBHODCJXWYKWNGS-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.95
Rot. Bonds4

About 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 106532762) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID106532762
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCCC1CCN(c2cc(F)cc(CCN)c2)CC1
InChIInChI=1S/C15H23FN2/c1-2-12-4-7-18(8-5-12)15-10-13(3-6-17)9-14(16)11-15/h9-12H,2-8,17H2,1H3
InChIKeyBHODCJXWYKWNGS-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-fluoro-5-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanamine
CID 106532877
2-[3-(4,4-dimethylazepan-1-yl)-5-fluorophenyl]ethanamine
CID 106532861
2-[3-(2-ethylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532256
2-[3-(7,7-dimethyl-1,4-thiazepan-4-yl)-5-fluorophenyl]ethanamine
CID 107459844
2-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]ethanamine
CID 63786885
1-[1-[3-fluoro-5-(hydroxymethyl)phenyl]piperidin-4-yl]ethanol
CID 106836470
2-[3-(2,5-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
CID 106532879
[1-(3-amino-5-fluorophenyl)piperidin-4-yl]methanol
CID 60877658
(3-fluoro-5-pyrrolidin-1-ylphenyl)methanamine
CID 102813283
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
2-[3-(5-ethyl-2-methylmorpholin-4-yl)-5-fluorophenyl]ethanamine
CID 106532708
1-[3-(aminomethyl)-5-fluorophenyl]piperidine-4-carboxamide
CID 102813342

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (CID 106532762) is 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is CCC1CCN(c2cc(F)cc(CCN)c2)CC1.
What is the InChIKey of 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is BHODCJXWYKWNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-12-4-7-18(8-5-12)15-10-13(3-6-17)9-14(16)11-15/h9-12H,2-8,17H2,1H3.
What are the key properties of 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 106532762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).