(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine

C15H23FN2 — CID 78934450

IUPAC(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
SMILESCCC1CCCN(c2cccc(F)c2[C@H](C)N)C1
InChIInChI=1S/C15H23FN2/c1-3-12-6-5-9-18(10-12)14-8-4-7-13(16)15(14)11(2)17/h4,7-8,11-12H,3,5-6,9-10,17H2,1-2H3/t11-,12?/m0/s1
InChIKeyFKEWSRZCTUZXNL-PXYINDEMSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds3

About (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine

(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine (PubChem CID 78934450) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
PubChem CID78934450
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
SMILESCCC1CCCN(c2cccc(F)c2[C@H](C)N)C1
InChIInChI=1S/C15H23FN2/c1-3-12-6-5-9-18(10-12)14-8-4-7-13(16)15(14)11(2)17/h4,7-8,11-12H,3,5-6,9-10,17H2,1-2H3/t11-,12?/m0/s1
InChIKeyFKEWSRZCTUZXNL-PXYINDEMSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine (CID 78934450) is (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine is CCC1CCCN(c2cccc(F)c2[C@H](C)N)C1.
What is the InChIKey of (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
The InChIKey is FKEWSRZCTUZXNL-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-12-6-5-9-18(10-12)14-8-4-7-13(16)15(14)11(2)17/h4,7-8,11-12H,3,5-6,9-10,17H2,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine?
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 78934450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).