tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate

C20H35NO4 — CID 170325529

IUPACtert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H35NO4/c1-19(2,3)25-18(22)21-12-8-17(9-13-21)5-4-16-6-10-20(11-7-16)23-14-15-24-20/h16-17H,4-15H2,1-3H3
InChIKeySAZHEVCACCYYJN-UHFFFAOYSA-N
MW353.50 g/mol
LogP4.35
Rot. Bonds3

About tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate (PubChem CID 170325529) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate
PubChem CID170325529
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Nametert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CCC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C20H35NO4/c1-19(2,3)25-18(22)21-12-8-17(9-13-21)5-4-16-6-10-20(11-7-16)23-14-15-24-20/h16-17H,4-15H2,1-3H3
InChIKeySAZHEVCACCYYJN-UHFFFAOYSA-N
XLogP4.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate (CID 170325529) is tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CCC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate?
The InChIKey is SAZHEVCACCYYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO4/c1-19(2,3)25-18(22)21-12-8-17(9-13-21)5-4-16-6-10-20(11-7-16)23-14-15-24-20/h16-17H,4-15H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate has a molecular weight of 353.50 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(1,4-dioxaspiro[4.5]decan-8-yl)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 170325529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).