3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine

C16H22FNO — CID 79432791

IUPAC3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine
SMILESFc1cccc(C2CNCCC2C2CCCOC2)c1
InChIInChI=1S/C16H22FNO/c17-14-5-1-3-12(9-14)16-10-18-7-6-15(16)13-4-2-8-19-11-13/h1,3,5,9,13,15-16,18H,2,4,6-8,10-11H2
InChIKeyLBFGNYKMZYMMMZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.95
Rot. Bonds2

About 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine

3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine (PubChem CID 79432791) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine
PubChem CID79432791
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine
SMILESFc1cccc(C2CNCCC2C2CCCOC2)c1
InChIInChI=1S/C16H22FNO/c17-14-5-1-3-12(9-14)16-10-18-7-6-15(16)13-4-2-8-19-11-13/h1,3,5,9,13,15-16,18H,2,4,6-8,10-11H2
InChIKeyLBFGNYKMZYMMMZ-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine?
The IUPAC name of 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine (CID 79432791) is 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine.
What is the SMILES notation for 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine?
The canonical SMILES for 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine is Fc1cccc(C2CNCCC2C2CCCOC2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine?
The InChIKey is LBFGNYKMZYMMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-5-1-3-12(9-14)16-10-18-7-6-15(16)13-4-2-8-19-11-13/h1,3,5,9,13,15-16,18H,2,4,6-8,10-11H2.
What are the key properties of 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine?
3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine has a molecular weight of 263.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine is sourced from PubChem (CID 79432791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).