tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate

C21H36FNO2 — CID 58602478

IUPACtert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC2(F)CC2)(C2CCCCC2)CC1
InChIInChI=1S/C21H36FNO2/c1-19(2,3)25-18(24)23-15-13-20(14-16-23,9-10-21(22)11-12-21)17-7-5-4-6-8-17/h17H,4-16H2,1-3H3
InChIKeyIPFGKOXWHABSJJ-UHFFFAOYSA-N
MW353.52 g/mol
LogP5.87
Rot. Bonds4

About tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate (PubChem CID 58602478) has the molecular formula C21H36FNO2 and a molecular weight of 353.52 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate
PubChem CID58602478
Molecular FormulaC21H36FNO2
Molecular Weight353.52 g/mol
Exact Mass353.27
IUPAC Nametert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC2(F)CC2)(C2CCCCC2)CC1
InChIInChI=1S/C21H36FNO2/c1-19(2,3)25-18(24)23-15-13-20(14-16-23,9-10-21(22)11-12-21)17-7-5-4-6-8-17/h17H,4-16H2,1-3H3
InChIKeyIPFGKOXWHABSJJ-UHFFFAOYSA-N
XLogP5.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate (CID 58602478) is tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC2(F)CC2)(C2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate?
The InChIKey is IPFGKOXWHABSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36FNO2/c1-19(2,3)25-18(24)23-15-13-20(14-16-23,9-10-21(22)11-12-21)17-7-5-4-6-8-17/h17H,4-16H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate has a molecular weight of 353.52 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-[2-(1-fluorocyclopropyl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58602478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).