4-fluoro-1-(2-phenyloxan-4-yl)piperidine

C16H22FNO — CID 68995810

IUPAC4-fluoro-1-(2-phenyloxan-4-yl)piperidine
SMILESFC1CCN(C2CCOC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H22FNO/c17-14-6-9-18(10-7-14)15-8-11-19-16(12-15)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
InChIKeyIDHGEOUKEVTMDJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.34
Rot. Bonds2

About 4-fluoro-1-(2-phenyloxan-4-yl)piperidine

4-fluoro-1-(2-phenyloxan-4-yl)piperidine (PubChem CID 68995810) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-fluoro-1-(2-phenyloxan-4-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(2-phenyloxan-4-yl)piperidine
PubChem CID68995810
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-fluoro-1-(2-phenyloxan-4-yl)piperidine
SMILESFC1CCN(C2CCOC(c3ccccc3)C2)CC1
InChIInChI=1S/C16H22FNO/c17-14-6-9-18(10-7-14)15-8-11-19-16(12-15)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2
InChIKeyIDHGEOUKEVTMDJ-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-phenyloxan-4-yl)piperidine?
The IUPAC name of 4-fluoro-1-(2-phenyloxan-4-yl)piperidine (CID 68995810) is 4-fluoro-1-(2-phenyloxan-4-yl)piperidine.
What is the SMILES notation for 4-fluoro-1-(2-phenyloxan-4-yl)piperidine?
The canonical SMILES for 4-fluoro-1-(2-phenyloxan-4-yl)piperidine is FC1CCN(C2CCOC(c3ccccc3)C2)CC1.
What is the InChIKey of 4-fluoro-1-(2-phenyloxan-4-yl)piperidine?
The InChIKey is IDHGEOUKEVTMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-6-9-18(10-7-14)15-8-11-19-16(12-15)13-4-2-1-3-5-13/h1-5,14-16H,6-12H2.
What are the key properties of 4-fluoro-1-(2-phenyloxan-4-yl)piperidine?
4-fluoro-1-(2-phenyloxan-4-yl)piperidine has a molecular weight of 263.36 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-phenyloxan-4-yl)piperidine is sourced from PubChem (CID 68995810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).