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

C20H23NO2 — CID 3034023

IUPAC(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
SMILESc1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCCN3)O2)cc1
InChIInChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1
InChIKeyHGKAMARNFGKMLC-RBUKOAKNSA-N
MW309.41 g/mol
LogP3.45
Rot. Bonds3

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

(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine (PubChem CID 3034023) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine.

Molecular Properties

Compound Name(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
PubChem CID3034023
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
SMILESc1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCCN3)O2)cc1
InChIInChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1
InChIKeyHGKAMARNFGKMLC-RBUKOAKNSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine?
The IUPAC name of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine (CID 3034023) is (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine.
What is the SMILES notation for (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine?
The canonical SMILES for (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine is c1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCCN3)O2)cc1.
What is the InChIKey of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine?
The InChIKey is HGKAMARNFGKMLC-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-9-16(10-4-1)20(17-11-5-2-6-12-17)22-15-19(23-20)18-13-7-8-14-21-18/h1-6,9-12,18-19,21H,7-8,13-15H2/t18-,19+/m0/s1.
What are the key properties of (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine?
(2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine has a molecular weight of 309.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine is sourced from PubChem (CID 3034023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).