tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate

C14H21NO3 — CID 122234616

IUPACtert-butyl 4-(furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)CC1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)15-7-4-11(5-8-15)12-6-9-17-10-12/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyUNIPXFRKWQKPFQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.39
Rot. Bonds1

About tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate

tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate (PubChem CID 122234616) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-3-yl)piperidine-1-carboxylate
PubChem CID122234616
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl 4-(furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)CC1
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-13(16)15-7-4-11(5-8-15)12-6-9-17-10-12/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyUNIPXFRKWQKPFQ-UHFFFAOYSA-N
XLogP3.39
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate (CID 122234616) is tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2)CC1.
What is the InChIKey of tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate?
The InChIKey is UNIPXFRKWQKPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-13(16)15-7-4-11(5-8-15)12-6-9-17-10-12/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 122234616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).