1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine

C18H35NO — CID 172515542

IUPAC1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine
SMILESCCOC1(C2CC2)CCN(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C18H35NO/c1-8-20-18(14-9-10-14)11-12-19(17(5,6)7)15(13-18)16(2,3)4/h14-15H,8-13H2,1-7H3
InChIKeyXQKRCGGNBCXNNL-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.48
Rot. Bonds3

About 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine

1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine (PubChem CID 172515542) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine.

Molecular Properties

Compound Name1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine
PubChem CID172515542
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine
SMILESCCOC1(C2CC2)CCN(C(C)(C)C)C(C(C)(C)C)C1
InChIInChI=1S/C18H35NO/c1-8-20-18(14-9-10-14)11-12-19(17(5,6)7)15(13-18)16(2,3)4/h14-15H,8-13H2,1-7H3
InChIKeyXQKRCGGNBCXNNL-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine?
The IUPAC name of 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine (CID 172515542) is 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine.
What is the SMILES notation for 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine?
The canonical SMILES for 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine is CCOC1(C2CC2)CCN(C(C)(C)C)C(C(C)(C)C)C1.
What is the InChIKey of 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine?
The InChIKey is XQKRCGGNBCXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-8-20-18(14-9-10-14)11-12-19(17(5,6)7)15(13-18)16(2,3)4/h14-15H,8-13H2,1-7H3.
What are the key properties of 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine?
1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine has a molecular weight of 281.48 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-4-cyclopropyl-4-ethoxypiperidine is sourced from PubChem (CID 172515542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).