tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate

C12H21NO4 — CID 175487566

IUPACtert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate
SMILESCC1C[C@@H](OC=O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-9-5-10(16-8-14)7-13(6-9)11(15)17-12(2,3)4/h8-10H,5-7H2,1-4H3/t9?,10-/m1/s1
InChIKeySOAJAXFGGPBRGQ-QVDQXJPCSA-N
MW243.30 g/mol
LogP1.80
Rot. Bonds2

About tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate

tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate (PubChem CID 175487566) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate
PubChem CID175487566
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate
SMILESCC1C[C@@H](OC=O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-9-5-10(16-8-14)7-13(6-9)11(15)17-12(2,3)4/h8-10H,5-7H2,1-4H3/t9?,10-/m1/s1
InChIKeySOAJAXFGGPBRGQ-QVDQXJPCSA-N
XLogP1.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (3R,5S)-3-acetyl-5-methylpiperidine-1-carboxylate
CID 178195276
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310
tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl (2S)-2-formyloxy-4-methylpyrrolidine-1-carboxylate
CID 174682221
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686
tert-butyl 3-methyl-5-(propylamino)piperidine-1-carboxylate
CID 83990962
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
CID 83996404
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate (CID 175487566) is tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate is CC1C[C@@H](OC=O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate?
The InChIKey is SOAJAXFGGPBRGQ-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9-5-10(16-8-14)7-13(6-9)11(15)17-12(2,3)4/h8-10H,5-7H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate?
tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-formyloxy-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 175487566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).