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

C21H25NO3 — CID 90667072

IUPAC(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine
SMILESCO[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C21H25NO3/c1-23-18-12-13-22-19(14-18)20-15-24-21(25-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22H,12-15H2,1H3/t18-,19-,20-/m0/s1
InChIKeyOTWLVLZKOFMBLI-UFYCRDLUSA-N
MW339.44 g/mol
LogP3.07
Rot. Bonds4

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

(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine (PubChem CID 90667072) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine.

Molecular Properties

Compound Name(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine
PubChem CID90667072
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine
SMILESCO[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C21H25NO3/c1-23-18-12-13-22-19(14-18)20-15-24-21(25-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22H,12-15H2,1H3/t18-,19-,20-/m0/s1
InChIKeyOTWLVLZKOFMBLI-UFYCRDLUSA-N
XLogP3.07
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine?
The IUPAC name of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine (CID 90667072) is (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine.
What is the SMILES notation for (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine?
The canonical SMILES for (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine is CO[C@H]1CCN[C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine?
The InChIKey is OTWLVLZKOFMBLI-UFYCRDLUSA-N. The full InChI is InChI=1S/C21H25NO3/c1-23-18-12-13-22-19(14-18)20-15-24-21(25-20,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22H,12-15H2,1H3/t18-,19-,20-/m0/s1.
What are the key properties of (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine?
(2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine has a molecular weight of 339.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(4R)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-methoxypiperidine is sourced from PubChem (CID 90667072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).