1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

C15H23FN2 — CID 62124442

IUPAC1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1N1CCCC(C)C1C
InChIInChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(16)9-14(15)11(2)17/h6-7,9-12H,4-5,8,17H2,1-3H3
InChIKeyQISMMNWOSZQJQS-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.47
Rot. Bonds2

About 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine

1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (PubChem CID 62124442) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
PubChem CID62124442
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1N1CCCC(C)C1C
InChIInChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(16)9-14(15)11(2)17/h6-7,9-12H,4-5,8,17H2,1-3H3
InChIKeyQISMMNWOSZQJQS-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine (CID 62124442) is 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is CC(N)c1cc(F)ccc1N1CCCC(C)C1C.
What is the InChIKey of 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
The InChIKey is QISMMNWOSZQJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-10-5-4-8-18(12(10)3)15-7-6-13(16)9-14(15)11(2)17/h6-7,9-12H,4-5,8,17H2,1-3H3.
What are the key properties of 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine?
1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine has a molecular weight of 250.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylpiperidin-1-yl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 62124442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).