1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine

C18H35NO2 — CID 20792754

IUPAC1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine
SMILESCCCOC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C18H35NO2/c1-6-12-20-16-13-17(2,3)19(18(4,5)14-16)21-15-10-8-7-9-11-15/h15-16H,6-14H2,1-5H3
InChIKeyXIMOZSUMIJUIOD-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.70
Rot. Bonds5

About 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine

1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine (PubChem CID 20792754) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine.

Molecular Properties

Compound Name1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine
PubChem CID20792754
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine
SMILESCCCOC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
InChIInChI=1S/C18H35NO2/c1-6-12-20-16-13-17(2,3)19(18(4,5)14-16)21-15-10-8-7-9-11-15/h15-16H,6-14H2,1-5H3
InChIKeyXIMOZSUMIJUIOD-UHFFFAOYSA-N
XLogP4.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine?
The IUPAC name of 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine (CID 20792754) is 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine.
What is the SMILES notation for 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine?
The canonical SMILES for 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine is CCCOC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.
What is the InChIKey of 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine?
The InChIKey is XIMOZSUMIJUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-6-12-20-16-13-17(2,3)19(18(4,5)14-16)21-15-10-8-7-9-11-15/h15-16H,6-14H2,1-5H3.
What are the key properties of 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine?
1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine has a molecular weight of 297.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2,2,6,6-tetramethyl-4-propoxypiperidine is sourced from PubChem (CID 20792754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).