1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine

C18H31NO2 — CID 566969

IUPAC1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC1=CC(C)C(C2OCC(CN3CCCCC3)O2)C(C)C1
InChIInChI=1S/C18H31NO2/c1-13-9-14(2)17(15(3)10-13)18-20-12-16(21-18)11-19-7-5-4-6-8-19/h9,14-18H,4-8,10-12H2,1-3H3
InChIKeyRJXDBTDFBZRPHG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.45
Rot. Bonds3

About 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine

1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 566969) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID566969
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC1=CC(C)C(C2OCC(CN3CCCCC3)O2)C(C)C1
InChIInChI=1S/C18H31NO2/c1-13-9-14(2)17(15(3)10-13)18-20-12-16(21-18)11-19-7-5-4-6-8-19/h9,14-18H,4-8,10-12H2,1-3H3
InChIKeyRJXDBTDFBZRPHG-UHFFFAOYSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine?
The IUPAC name of 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine (CID 566969) is 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine is CC1=CC(C)C(C2OCC(CN3CCCCC3)O2)C(C)C1.
What is the InChIKey of 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is RJXDBTDFBZRPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13-9-14(2)17(15(3)10-13)18-20-12-16(21-18)11-19-7-5-4-6-8-19/h9,14-18H,4-8,10-12H2,1-3H3.
What are the key properties of 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine has a molecular weight of 293.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 566969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).