2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine

C20H35NO2 — CID 24033

IUPAC2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine
SMILESC1CCC(C2(C3CCCCC3)OCC(C3CCCCN3)O2)CC1
InChIInChI=1S/C20H35NO2/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/h16-19,21H,1-15H2
InChIKeyOCUDXZNFFGKRHA-UHFFFAOYSA-N
MW321.51 g/mol
LogP4.40
Rot. Bonds3

About 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine

2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine (PubChem CID 24033) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine.

Molecular Properties

Compound Name2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine
PubChem CID24033
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine
SMILESC1CCC(C2(C3CCCCC3)OCC(C3CCCCN3)O2)CC1
InChIInChI=1S/C20H35NO2/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/h16-19,21H,1-15H2
InChIKeyOCUDXZNFFGKRHA-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine?
The IUPAC name of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine (CID 24033) is 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine.
What is the SMILES notation for 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine?
The canonical SMILES for 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine is C1CCC(C2(C3CCCCC3)OCC(C3CCCCN3)O2)CC1.
What is the InChIKey of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine?
The InChIKey is OCUDXZNFFGKRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/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/h16-19,21H,1-15H2.
What are the key properties of 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine?
2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine has a molecular weight of 321.51 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclohexyl-1,3-dioxolan-4-yl)piperidine is sourced from PubChem (CID 24033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).