(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine

C16H22FNO2 — CID 15749471

IUPAC(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine
SMILESCC[C@]1(c2ccc(F)cc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C16H22FNO2/c1-2-16(12-6-8-13(17)9-7-12)19-11-15(20-16)14-5-3-4-10-18-14/h6-9,14-15,18H,2-5,10-11H2,1H3/t14-,15+,16-/m0/s1
InChIKeyKNHRCLDZMAVSEZ-XHSDSOJGSA-N
MW279.35 g/mol
LogP2.95
Rot. Bonds3

About (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine

(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine (PubChem CID 15749471) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine
PubChem CID15749471
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine
SMILESCC[C@]1(c2ccc(F)cc2)OC[C@H]([C@@H]2CCCCN2)O1
InChIInChI=1S/C16H22FNO2/c1-2-16(12-6-8-13(17)9-7-12)19-11-15(20-16)14-5-3-4-10-18-14/h6-9,14-15,18H,2-5,10-11H2,1H3/t14-,15+,16-/m0/s1
InChIKeyKNHRCLDZMAVSEZ-XHSDSOJGSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine (CID 15749471) is (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine is CC[C@]1(c2ccc(F)cc2)OC[C@H]([C@@H]2CCCCN2)O1.
What is the InChIKey of (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine?
The InChIKey is KNHRCLDZMAVSEZ-XHSDSOJGSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-16(12-6-8-13(17)9-7-12)19-11-15(20-16)14-5-3-4-10-18-14/h6-9,14-15,18H,2-5,10-11H2,1H3/t14-,15+,16-/m0/s1.
What are the key properties of (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine has a molecular weight of 279.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 15749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).