3-(2-fluorophenyl)-4-propan-2-ylpiperidine

C14H20FN — CID 79455121

IUPAC3-(2-fluorophenyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1c1ccccc1F
InChIInChI=1S/C14H20FN/c1-10(2)11-7-8-16-9-13(11)12-5-3-4-6-14(12)15/h3-6,10-11,13,16H,7-9H2,1-2H3
InChIKeyRQHCEFNFTAEBGY-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.17
Rot. Bonds2

About 3-(2-fluorophenyl)-4-propan-2-ylpiperidine

3-(2-fluorophenyl)-4-propan-2-ylpiperidine (PubChem CID 79455121) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-propan-2-ylpiperidine
PubChem CID79455121
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name3-(2-fluorophenyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1c1ccccc1F
InChIInChI=1S/C14H20FN/c1-10(2)11-7-8-16-9-13(11)12-5-3-4-6-14(12)15/h3-6,10-11,13,16H,7-9H2,1-2H3
InChIKeyRQHCEFNFTAEBGY-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-propan-2-ylpiperidine?
The IUPAC name of 3-(2-fluorophenyl)-4-propan-2-ylpiperidine (CID 79455121) is 3-(2-fluorophenyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 3-(2-fluorophenyl)-4-propan-2-ylpiperidine is CC(C)C1CCNCC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-propan-2-ylpiperidine?
The InChIKey is RQHCEFNFTAEBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c1-10(2)11-7-8-16-9-13(11)12-5-3-4-6-14(12)15/h3-6,10-11,13,16H,7-9H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-4-propan-2-ylpiperidine?
3-(2-fluorophenyl)-4-propan-2-ylpiperidine has a molecular weight of 221.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 79455121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).