tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate

C23H42N2O5 — CID 11015446

IUPACtert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CC(O)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H42N2O5/c1-22(2,3)29-20(27)24-13-9-7-11-17(24)15-19(26)16-18-12-8-10-14-25(18)21(28)30-23(4,5)6/h17-19,26H,7-16H2,1-6H3/t17-,18-/m1/s1
InChIKeySDNQWZQQBWACSH-QZTJIDSGSA-N
MW426.60 g/mol
LogP4.71
Rot. Bonds4

About tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate (PubChem CID 11015446) has the molecular formula C23H42N2O5 and a molecular weight of 426.60 g/mol. Its IUPAC name is tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate
PubChem CID11015446
Molecular FormulaC23H42N2O5
Molecular Weight426.60 g/mol
Exact Mass426.31
IUPAC Nametert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1CC(O)C[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H42N2O5/c1-22(2,3)29-20(27)24-13-9-7-11-17(24)15-19(26)16-18-12-8-10-14-25(18)21(28)30-23(4,5)6/h17-19,26H,7-16H2,1-6H3/t17-,18-/m1/s1
InChIKeySDNQWZQQBWACSH-QZTJIDSGSA-N
XLogP4.71
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]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 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 5103438
(S)-1-N-Boc-piperidine-2-ethanol
CID 1514243
1,1-Dimethylethyl (2R)-2-(2-hydroxyethyl)-1-piperidinecarboxylate
CID 1514244
Tert-butyl 3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58414822
Tert-butyl endo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 58878589
tert-butyl (1S,5S)-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 131632261
9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl esteR, (3-exo)-
CID 131698295
[3-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] (3S,4R)-2-tert-butyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 89501826
Tert-butyl 2-butyl-3-fluoro-4-hydroxypiperidine-1-carboxylate
CID 149901050
tert-butyl rel-(1S,2S,3S,5R)-2-fluoro-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 154676817
Tert-butyl exo-2-fluoro-exo-3-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 154676818
Butyl 3-fluoro-7-hydroxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 155047639

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate (CID 11015446) is tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(O)C[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate?
The InChIKey is SDNQWZQQBWACSH-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H42N2O5/c1-22(2,3)29-20(27)24-13-9-7-11-17(24)15-19(26)16-18-12-8-10-14-25(18)21(28)30-23(4,5)6/h17-19,26H,7-16H2,1-6H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate has a molecular weight of 426.60 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[2-hydroxy-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 11015446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).