tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one

C45H80N5O15P — CID 158063975

IUPACtert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one
SMILESC#C[C@@H](C)OC1CCN(C(=O)OC(C)(C)C)CC1.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.C[C@H](C=O)OC1CCN(C(=O)OC(C)(C)C)CC1.C[C@H](CO)OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO3.C13H25NO4.C13H23NO4.C5H9N2O4P/c1-6-11(2)17-12-7-9-15(10-8-12)13(16)18-14(3,4)5;2*1-10(9-15)17-11-5-7-14(8-6-11)12(16)18-13(2,3)4;1-4(8)5(7-6)12(9,10-2)11-3/h1,11-12H,7-10H2,2-5H3;10-11,15H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;1-3H3/t11-;2*10-;/m111./s1
InChIKeyFKZQCANHFSDZRF-PDZXLQKTSA-N
MW962.13 g/mol
LogP6.89
Rot. Bonds12

About tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one

tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one (PubChem CID 158063975) has the molecular formula C45H80N5O15P and a molecular weight of 962.13 g/mol. Its IUPAC name is tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one.

Molecular Properties

Compound Nametert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one
PubChem CID158063975
Molecular FormulaC45H80N5O15P
Molecular Weight962.13 g/mol
Exact Mass961.54
IUPAC Nametert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one
SMILESC#C[C@@H](C)OC1CCN(C(=O)OC(C)(C)C)CC1.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.C[C@H](C=O)OC1CCN(C(=O)OC(C)(C)C)CC1.C[C@H](CO)OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H23NO3.C13H25NO4.C13H23NO4.C5H9N2O4P/c1-6-11(2)17-12-7-9-15(10-8-12)13(16)18-14(3,4)5;2*1-10(9-15)17-11-5-7-14(8-6-11)12(16)18-13(2,3)4;1-4(8)5(7-6)12(9,10-2)11-3/h1,11-12H,7-10H2,2-5H3;10-11,15H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;1-3H3/t11-;2*10-;/m111./s1
InChIKeyFKZQCANHFSDZRF-PDZXLQKTSA-N
XLogP6.89
TPSA242.61 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500962.13
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one 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-[(2R)-1-cyanopropan-2-yl]oxypiperidine-1-carboxylate
CID 155751765
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
CID 146599014
tert-butyl (6R,8aS)-6-ethynyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;tert-butyl (6R,8aS)-6-formyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate;(1-dimethoxyphosphoryl-2-oxopropylidene)-iminoazanium
CID 158151308
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956
tert-butyl 4-(2-fluoro-3-hydroxypropyl)piperidine-1-carboxylate
CID 53302080
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl 4-(3-hydroxy-2-oxopropyl)piperidine-1-carboxylate
CID 90046892
tert-butyl 4-(2-oxo-1-piperidin-4-yloxyethyl)piperidine-1-carboxylate
CID 57276741
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-oct-7-ynylpiperidine-1-carboxylate
CID 170900277

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one?
The IUPAC name of tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one (CID 158063975) is tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one.
What is the SMILES notation for tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one?
The canonical SMILES for tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one is C#C[C@@H](C)OC1CCN(C(=O)OC(C)(C)C)CC1.COP(=O)(OC)C(=[N+]=[N-])C(C)=O.C[C@H](C=O)OC1CCN(C(=O)OC(C)(C)C)CC1.C[C@H](CO)OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one?
The InChIKey is FKZQCANHFSDZRF-PDZXLQKTSA-N. The full InChI is InChI=1S/C14H23NO3.C13H25NO4.C13H23NO4.C5H9N2O4P/c1-6-11(2)17-12-7-9-15(10-8-12)13(16)18-14(3,4)5;2*1-10(9-15)17-11-5-7-14(8-6-11)12(16)18-13(2,3)4;1-4(8)5(7-6)12(9,10-2)11-3/h1,11-12H,7-10H2,2-5H3;10-11,15H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3;1-3H3/t11-;2*10-;/m111./s1.
What are the key properties of tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one?
tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one has a molecular weight of 962.13 g/mol, XLogP of 6.89, 12 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2R)-but-3-yn-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-hydroxypropan-2-yl]oxypiperidine-1-carboxylate;tert-butyl 4-[(2R)-1-oxopropan-2-yl]oxypiperidine-1-carboxylate;1-diazo-1-dimethoxyphosphorylpropan-2-one is sourced from PubChem (CID 158063975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).