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

C14H21NO4 — CID 59674744

IUPACtert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(O)C1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-6-4-11(12(16)8-15)10-5-7-18-9-10/h5,7,9,11-12,16H,4,6,8H2,1-3H3
InChIKeyNILOZKOTYUTAGM-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.36
Rot. Bonds1

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

tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate (PubChem CID 59674744) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
PubChem CID59674744
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccoc2)C(O)C1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-6-4-11(12(16)8-15)10-5-7-18-9-10/h5,7,9,11-12,16H,4,6,8H2,1-3H3
InChIKeyNILOZKOTYUTAGM-UHFFFAOYSA-N
XLogP2.36
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(3,4-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596037
tert-butyl 4-(furan-3-yl)-3-phenylmethoxypiperidine-1-carboxylate
CID 69225070
tert-butyl 3-(cyclohexylmethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640505
tert-butyl (3S,4S)-4-(3,5-dimethylphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566713
tert-butyl 4-(furan-3-yl)-3-hexoxypiperidine-1-carboxylate
CID 91221582
tert-butyl 3-(2-cyclohexylethoxy)-4-(furan-3-yl)piperidine-1-carboxylate
CID 72640511
tert-butyl (3S,4R)-3-hydroxy-4-(2-methylphenyl)piperidine-1-carboxylate
CID 95566698
tert-butyl 4-(3,5-difluorophenyl)-3-hydroxypiperidine-1-carboxylate
CID 54596029
tert-butyl (3S,4S)-4-(4-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566636
tert-butyl (3S,4S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-3-hydroxypiperidine-1-carboxylate
CID 95566722
tert-butyl 3-(furan-3-yl)piperazine-1-carboxylate
CID 131227560
tert-butyl 3-(aminomethyl)-4-(furan-3-yl)pyrrolidine-1-carboxylate
CID 76520777

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate (CID 59674744) is tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccoc2)C(O)C1.
What is the InChIKey of tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate?
The InChIKey is NILOZKOTYUTAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-6-4-11(12(16)8-15)10-5-7-18-9-10/h5,7,9,11-12,16H,4,6,8H2,1-3H3.
What are the key properties of tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate?
tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(furan-3-yl)-3-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 59674744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).