2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine

C17H31NO3S — CID 156650263

IUPAC2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine
SMILESCSC1CCC(C2CCCC(OCC3CCOOC3)N2)CC1
InChIInChI=1S/C17H31NO3S/c1-22-15-7-5-14(6-8-15)16-3-2-4-17(18-16)19-11-13-9-10-20-21-12-13/h13-18H,2-12H2,1H3
InChIKeyOXUSTBPSYBFNQE-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.36
Rot. Bonds5

About 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine

2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine (PubChem CID 156650263) has the molecular formula C17H31NO3S and a molecular weight of 329.51 g/mol. Its IUPAC name is 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine.

Molecular Properties

Compound Name2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine
PubChem CID156650263
Molecular FormulaC17H31NO3S
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Name2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine
SMILESCSC1CCC(C2CCCC(OCC3CCOOC3)N2)CC1
InChIInChI=1S/C17H31NO3S/c1-22-15-7-5-14(6-8-15)16-3-2-4-17(18-16)19-11-13-9-10-20-21-12-13/h13-18H,2-12H2,1H3
InChIKeyOXUSTBPSYBFNQE-UHFFFAOYSA-N
XLogP3.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine?
The IUPAC name of 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine (CID 156650263) is 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine.
What is the SMILES notation for 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine?
The canonical SMILES for 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine is CSC1CCC(C2CCCC(OCC3CCOOC3)N2)CC1.
What is the InChIKey of 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine?
The InChIKey is OXUSTBPSYBFNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3S/c1-22-15-7-5-14(6-8-15)16-3-2-4-17(18-16)19-11-13-9-10-20-21-12-13/h13-18H,2-12H2,1H3.
What are the key properties of 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine?
2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine has a molecular weight of 329.51 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxan-4-ylmethoxy)-6-(4-methylsulfanylcyclohexyl)piperidine is sourced from PubChem (CID 156650263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).