tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate

C18H28N2O3 — CID 169288511

IUPACtert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(O)c3c2CCCC3)CC1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)19-10-8-13(9-11-19)20-12-16(21)14-6-4-5-7-15(14)20/h12-13,21H,4-11H2,1-3H3
InChIKeyLVGGRLRZRZMFEU-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.64
Rot. Bonds1

About tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate (PubChem CID 169288511) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate
PubChem CID169288511
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(O)c3c2CCCC3)CC1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)19-10-8-13(9-11-19)20-12-16(21)14-6-4-5-7-15(14)20/h12-13,21H,4-11H2,1-3H3
InChIKeyLVGGRLRZRZMFEU-UHFFFAOYSA-N
XLogP3.64
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-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-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(4-hydroxy-2-oxo-1-pyridinyl)piperidine-1-carboxylate
CID 171497821
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 69192840
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl 3-(2-oxopyrrolidin-1-yl)pyrrolidine-1-carboxylate
CID 170992985
tert-butyl 4-(4-hydroxy-2-oxo-1,3-thiazol-3-yl)piperidine-1-carboxylate
CID 123685463
tert-butyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 121209940
tert-butyl 4-(4-methyl-4-oxo-1,4λ5-azaphosphinan-1-yl)piperidine-1-carboxylate
CID 67052687
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185
tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
CID 23084136
tert-butyl 4-(6-amino-5-fluoro-1-hydroxyisoindol-2-yl)piperidine-1-carboxylate
CID 123927193

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate (CID 169288511) is tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(O)c3c2CCCC3)CC1.
What is the InChIKey of tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate?
The InChIKey is LVGGRLRZRZMFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(22)19-10-8-13(9-11-19)20-12-16(21)14-6-4-5-7-15(14)20/h12-13,21H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-hydroxy-4,5,6,7-tetrahydroindol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 169288511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).