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

C28H31NO2 — CID 127028730

IUPAC4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine
SMILESc1ccc(CC2CCN(CC3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
InChIKeyRARIHZNXYDKHDG-UHFFFAOYSA-N
MW413.56 g/mol
LogP5.26
Rot. Bonds6

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

4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine (PubChem CID 127028730) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine
PubChem CID127028730
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine
SMILESc1ccc(CC2CCN(CC3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1
InChIInChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2
InChIKeyRARIHZNXYDKHDG-UHFFFAOYSA-N
XLogP5.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenylpyraline
CID 3103
Dexoxadrol
CID 3034023
Dotarizine
CID 55285
Dioxadrol
CID 66270
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
Oxapium Iodide
CID 168884
Dioxadrol Hydrochloride
CID 66269
Piperidinium, 1-((2,2-diphenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-, iodide (1:1)
CID 210301
Levoxadrol
CID 14208378
Etoxadrol
CID 14208380
Dexoxadrol Hydrochloride
CID 71658
Levoxadrol Hydrochloride
CID 20055409

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine (CID 127028730) is 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine is c1ccc(CC2CCN(CC3COC(c4ccccc4)(c4ccccc4)O3)CC2)cc1.
What is the InChIKey of 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine?
The InChIKey is RARIHZNXYDKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-4-10-23(11-5-1)20-24-16-18-29(19-17-24)21-27-22-30-28(31-27,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,24,27H,16-22H2.
What are the key properties of 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine?
4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine has a molecular weight of 413.56 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]piperidine is sourced from PubChem (CID 127028730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).