1-butyl-4-cyclohexyl-4-propoxypiperidine

C18H35NO — CID 3030417

IUPAC1-butyl-4-cyclohexyl-4-propoxypiperidine
SMILESCCCCN1CCC(OCCC)(C2CCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-3-5-13-19-14-11-18(12-15-19,20-16-4-2)17-9-7-6-8-10-17/h17H,3-16H2,1-2H3
InChIKeyXWYAKWRPHLJYFK-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.63
Rot. Bonds7

About 1-butyl-4-cyclohexyl-4-propoxypiperidine

1-butyl-4-cyclohexyl-4-propoxypiperidine (PubChem CID 3030417) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-butyl-4-cyclohexyl-4-propoxypiperidine.

Molecular Properties

Compound Name1-butyl-4-cyclohexyl-4-propoxypiperidine
PubChem CID3030417
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-butyl-4-cyclohexyl-4-propoxypiperidine
SMILESCCCCN1CCC(OCCC)(C2CCCCC2)CC1
InChIInChI=1S/C18H35NO/c1-3-5-13-19-14-11-18(12-15-19,20-16-4-2)17-9-7-6-8-10-17/h17H,3-16H2,1-2H3
InChIKeyXWYAKWRPHLJYFK-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-cyclohexyl-4-propoxypiperidine?
The IUPAC name of 1-butyl-4-cyclohexyl-4-propoxypiperidine (CID 3030417) is 1-butyl-4-cyclohexyl-4-propoxypiperidine.
What is the SMILES notation for 1-butyl-4-cyclohexyl-4-propoxypiperidine?
The canonical SMILES for 1-butyl-4-cyclohexyl-4-propoxypiperidine is CCCCN1CCC(OCCC)(C2CCCCC2)CC1.
What is the InChIKey of 1-butyl-4-cyclohexyl-4-propoxypiperidine?
The InChIKey is XWYAKWRPHLJYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-5-13-19-14-11-18(12-15-19,20-16-4-2)17-9-7-6-8-10-17/h17H,3-16H2,1-2H3.
What are the key properties of 1-butyl-4-cyclohexyl-4-propoxypiperidine?
1-butyl-4-cyclohexyl-4-propoxypiperidine has a molecular weight of 281.48 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-cyclohexyl-4-propoxypiperidine is sourced from PubChem (CID 3030417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).