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

C19H33NO4 — CID 171080195

IUPACtert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H33NO4/c1-18(2,3)24-17(21)20-10-6-16(7-11-20)14-15-4-8-19(9-5-15)22-12-13-23-19/h15-16H,4-14H2,1-3H3
InChIKeyBWITXKNOQAOBJL-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.96
Rot. Bonds2

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

tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate (PubChem CID 171080195) has the molecular formula C19H33NO4 and a molecular weight of 339.48 g/mol. Its IUPAC name is tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate
PubChem CID171080195
Molecular FormulaC19H33NO4
Molecular Weight339.48 g/mol
Exact Mass339.24
IUPAC Nametert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C19H33NO4/c1-18(2,3)24-17(21)20-10-6-16(7-11-20)14-15-4-8-19(9-5-15)22-12-13-23-19/h15-16H,4-14H2,1-3H3
InChIKeyBWITXKNOQAOBJL-UHFFFAOYSA-N
XLogP3.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.96
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-ylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate (CID 171080195) is tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate?
The InChIKey is BWITXKNOQAOBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO4/c1-18(2,3)24-17(21)20-10-6-16(7-11-20)14-15-4-8-19(9-5-15)22-12-13-23-19/h15-16H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate?
tert-butyl 4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperidine-1-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 3.96, 2 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-ylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 171080195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).