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

C18H31NO4 — CID 169226202

IUPACtert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H31NO4/c1-17(2,3)23-16(20)19-10-6-15(7-11-19)14-4-8-18(9-5-14)21-12-13-22-18/h14-15H,4-13H2,1-3H3
InChIKeyXQSFCHMYCBPWRX-UHFFFAOYSA-N
MW325.45 g/mol
LogP3.57
Rot. Bonds1

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

tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate (PubChem CID 169226202) has the molecular formula C18H31NO4 and a molecular weight of 325.45 g/mol. Its IUPAC name is tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate
PubChem CID169226202
Molecular FormulaC18H31NO4
Molecular Weight325.45 g/mol
Exact Mass325.23
IUPAC Nametert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C18H31NO4/c1-17(2,3)23-16(20)19-10-6-15(7-11-19)14-4-8-18(9-5-14)21-12-13-22-18/h14-15H,4-13H2,1-3H3
InChIKeyXQSFCHMYCBPWRX-UHFFFAOYSA-N
XLogP3.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate (CID 169226202) is tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate?
The InChIKey is XQSFCHMYCBPWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO4/c1-17(2,3)23-16(20)19-10-6-15(7-11-19)14-4-8-18(9-5-14)21-12-13-22-18/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate?
tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate has a molecular weight of 325.45 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-yl)piperidine-1-carboxylate is sourced from PubChem (CID 169226202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).