3-(1-fluoro-1-piperidin-3-ylethyl)quinoline

C16H19FN2 — CID 112564864

IUPAC3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
SMILESCC(F)(c1cnc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C16H19FN2/c1-16(17,13-6-4-8-18-10-13)14-9-12-5-2-3-7-15(12)19-11-14/h2-3,5,7,9,11,13,18H,4,6,8,10H2,1H3
InChIKeyMIUOFKCZYMGYPL-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.42
Rot. Bonds2

About 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline

3-(1-fluoro-1-piperidin-3-ylethyl)quinoline (PubChem CID 112564864) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline.

Molecular Properties

Compound Name3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
PubChem CID112564864
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-(1-fluoro-1-piperidin-3-ylethyl)quinoline
SMILESCC(F)(c1cnc2ccccc2c1)C1CCCNC1
InChIInChI=1S/C16H19FN2/c1-16(17,13-6-4-8-18-10-13)14-9-12-5-2-3-7-15(12)19-11-14/h2-3,5,7,9,11,13,18H,4,6,8,10H2,1H3
InChIKeyMIUOFKCZYMGYPL-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline?
The IUPAC name of 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline (CID 112564864) is 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline.
What is the SMILES notation for 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline?
The canonical SMILES for 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline is CC(F)(c1cnc2ccccc2c1)C1CCCNC1.
What is the InChIKey of 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline?
The InChIKey is MIUOFKCZYMGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-16(17,13-6-4-8-18-10-13)14-9-12-5-2-3-7-15(12)19-11-14/h2-3,5,7,9,11,13,18H,4,6,8,10H2,1H3.
What are the key properties of 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline?
3-(1-fluoro-1-piperidin-3-ylethyl)quinoline has a molecular weight of 258.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-1-piperidin-3-ylethyl)quinoline is sourced from PubChem (CID 112564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).