tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate

C17H26N2O3 — CID 126709456

IUPACtert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NOCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-11-7-10-15(12-19)18-21-13-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKeyKCHLWZLPDQXFSA-OAHLLOKOSA-N
MW306.41 g/mol
LogP3.11
Rot. Bonds4

About tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate

tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate (PubChem CID 126709456) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
PubChem CID126709456
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](NOCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-11-7-10-15(12-19)18-21-13-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1
InChIKeyKCHLWZLPDQXFSA-OAHLLOKOSA-N
XLogP3.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
tert-butyl (3R)-3-[(1-phenylmethoxycarbonylpiperidin-4-yl)methylamino]piperidine-1-carboxylate
CID 170459926
tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
CID 175261637
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
benzyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl (3R)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 159336340
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl (3S)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-1-carboxylate
CID 171613468
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367
tert-butyl 3-[2-[3,3-diphenylpropyl(phenylmethoxycarbonyl)amino]ethylamino]piperidine-1-carboxylate
CID 59728992

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate (CID 126709456) is tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](NOCc2ccccc2)C1.
What is the InChIKey of tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate?
The InChIKey is KCHLWZLPDQXFSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-11-7-10-15(12-19)18-21-13-14-8-5-4-6-9-14/h4-6,8-9,15,18H,7,10-13H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate?
tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate is sourced from PubChem (CID 126709456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).