tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate

C15H23NO4 — CID 58442831

IUPACtert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2CO)CC1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-7-4-11(5-8-16)12-6-9-19-13(12)10-17/h6,9,11,17H,4-5,7-8,10H2,1-3H3
InChIKeyDRNCLBJKEKKLIJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate (PubChem CID 58442831) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate
PubChem CID58442831
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2CO)CC1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-7-4-11(5-8-16)12-6-9-19-13(12)10-17/h6,9,11,17H,4-5,7-8,10H2,1-3H3
InChIKeyDRNCLBJKEKKLIJ-UHFFFAOYSA-N
XLogP2.89
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[4-fluoro-2-(hydroxymethyl)phenyl]piperidine-1-carboxylate
CID 59327647
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CID 166523451
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
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tert-butyl 4-(5-tert-butyl-2-hydroxyphenyl)piperidine-1-carboxylate
CID 171109282
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-(2-benzylphenyl)piperidine-1-carboxylate
CID 21193104
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate (CID 58442831) is tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2CO)CC1.
What is the InChIKey of tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate?
The InChIKey is DRNCLBJKEKKLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)16-7-4-11(5-8-16)12-6-9-19-13(12)10-17/h6,9,11,17H,4-5,7-8,10H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58442831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).