tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate

C14H25NO4 — CID 167063617

IUPACtert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate
SMILESCOCC1CC(C=O)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-10-6-11(8-16)7-12(9-18-5)15(10)13(17)19-14(2,3)4/h8,10-12H,6-7,9H2,1-5H3
InChIKeyQMVKZJIMMLAUFY-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate

tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate (PubChem CID 167063617) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate
PubChem CID167063617
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate
SMILESCOCC1CC(C=O)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-10-6-11(8-16)7-12(9-18-5)15(10)13(17)19-14(2,3)4/h8,10-12H,6-7,9H2,1-5H3
InChIKeyQMVKZJIMMLAUFY-UHFFFAOYSA-N
XLogP2.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.24
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 (5R)-3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 170038302
1-O-tert-butyl 2-O-methyl (2S,5S)-5-formylpyrrolidine-1,2-dicarboxylate
CID 10445185
tert-butyl (3S,5R)-3-fluoro-2-methoxy-5-methylpyrrolidine-1-carboxylate
CID 177126368
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl (2S,5R)-2-[(4-methoxycarbonylcyclohexyl)oxymethyl]-5-(methoxymethyl)pyrrolidine-1-carboxylate
CID 58778846
tert-butyl 3-formyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 74439641
tert-butyl (2S,5R)-2-[(4-methoxycarbonylcyclohexyl)methoxymethyl]-5-(methoxymethyl)pyrrolidine-1-carboxylate
CID 71220964
tert-butyl (2R,4S)-4-bromo-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 155904962
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 155904136
1-O-tert-butyl 2-O-methyl (2S,4S,5R)-4,5-dimethylpyrrolidine-1,2-dicarboxylate
CID 71244415
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate (CID 167063617) is tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate is COCC1CC(C=O)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate?
The InChIKey is QMVKZJIMMLAUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10-6-11(8-16)7-12(9-18-5)15(10)13(17)19-14(2,3)4/h8,10-12H,6-7,9H2,1-5H3.
What are the key properties of tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate?
tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formyl-2-(methoxymethyl)-6-methylpiperidine-1-carboxylate is sourced from PubChem (CID 167063617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).