tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate

C17H26N2O3 — CID 76534506

IUPACtert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(NOCc2ccccc2)CN1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)15-10-9-14(11-18-15)19-21-12-13-7-5-4-6-8-13/h4-8,14-15,18-19H,9-12H2,1-3H3
InChIKeyHZCDQPSZEWLWLR-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate

tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate (PubChem CID 76534506) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
PubChem CID76534506
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(NOCc2ccccc2)CN1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)15-10-9-14(11-18-15)19-21-12-13-7-5-4-6-8-13/h4-8,14-15,18-19H,9-12H2,1-3H3
InChIKeyHZCDQPSZEWLWLR-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 70673934
ethyl (2S)-5-(phenylmethoxyamino)piperidine-2-carboxylate
CID 134692711
bis[(2R,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175028202
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid
CID 87217512
benzyl (2R,5S)-5-(phenylmethoxyamino)piperidine-2-carboxylate;oxalic acid
CID 175022601
1-O-methyl 2-O-[(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carbonyl] oxalate
CID 175024507
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxamide;dihydrochloride
CID 156834463
tert-butyl 4-[[5-(phenylmethoxyamino)piperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 123544484
(2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylic acid;sulfuric acid
CID 130300136
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
tert-butyl 5-(phenylmethoxyamino)-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxylate
CID 76534508
tert-butyl (3R)-3-(phenylmethoxyamino)piperidine-1-carboxylate
CID 126709456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate?
The IUPAC name of tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate (CID 76534506) is tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate.
What is the SMILES notation for tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate?
The canonical SMILES for tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate is CC(C)(C)OC(=O)C1CCC(NOCc2ccccc2)CN1.
What is the InChIKey of tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate?
The InChIKey is HZCDQPSZEWLWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)15-10-9-14(11-18-15)19-21-12-13-7-5-4-6-8-13/h4-8,14-15,18-19H,9-12H2,1-3H3.
What are the key properties of tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate?
tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(phenylmethoxyamino)piperidine-2-carboxylate is sourced from PubChem (CID 76534506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).