tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate

C13H26N2O3 — CID 82687309

IUPACtert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NO
InChIInChI=1S/C13H26N2O3/c1-10(14-17)9-11-7-5-6-8-15(11)12(16)18-13(2,3)4/h10-11,14,17H,5-9H2,1-4H3
InChIKeyVFGHLQZBXWCZGV-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.53
Rot. Bonds3

About tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate

tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate (PubChem CID 82687309) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
PubChem CID82687309
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NO
InChIInChI=1S/C13H26N2O3/c1-10(14-17)9-11-7-5-6-8-15(11)12(16)18-13(2,3)4/h10-11,14,17H,5-9H2,1-4H3
InChIKeyVFGHLQZBXWCZGV-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
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 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
CID 103879002
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl 2-[2-(4-aminobutylamino)propyl]piperidine-1-carboxylate
CID 103723964
tert-butyl 2-[2-[[(E)-pent-3-enyl]amino]propyl]piperidine-1-carboxylate
CID 104861282
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate (CID 82687309) is tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NO.
What is the InChIKey of tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate?
The InChIKey is VFGHLQZBXWCZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(14-17)9-11-7-5-6-8-15(11)12(16)18-13(2,3)4/h10-11,14,17H,5-9H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 82687309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).