(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine

C20H22FNO2 — CID 52941919

IUPAC(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine
SMILESF[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H22FNO2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14H2/t17-,18-,19+/m0/s1
InChIKeyOLGOYYOHTNZCEO-GBESFXJTSA-N
MW327.40 g/mol
LogP3.39
Rot. Bonds3

About (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine

(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine (PubChem CID 52941919) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine.

Molecular Properties

Compound Name(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine
PubChem CID52941919
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine
SMILESF[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H22FNO2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14H2/t17-,18-,19+/m0/s1
InChIKeyOLGOYYOHTNZCEO-GBESFXJTSA-N
XLogP3.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine?
The IUPAC name of (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine (CID 52941919) is (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine.
What is the SMILES notation for (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine?
The canonical SMILES for (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine is F[C@H]1CCN[C@H]([C@H]2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine?
The InChIKey is OLGOYYOHTNZCEO-GBESFXJTSA-N. The full InChI is InChI=1S/C20H22FNO2/c21-17-11-12-22-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22H,11-14H2/t17-,18-,19+/m0/s1.
What are the key properties of (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine?
(2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine has a molecular weight of 327.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-fluoropiperidine is sourced from PubChem (CID 52941919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).