tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate

C14H25NO4 — CID 166935935

IUPACtert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CCOC=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-8-5-14(4,6-9-15)7-10-18-11-16/h11H,5-10H2,1-4H3
InChIKeyHMIAMDGEKQAXBA-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds4

About tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate

tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate (PubChem CID 166935935) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate
PubChem CID166935935
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate
SMILESCC1(CCOC=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-8-5-14(4,6-9-15)7-10-18-11-16/h11H,5-10H2,1-4H3
InChIKeyHMIAMDGEKQAXBA-UHFFFAOYSA-N
XLogP2.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-methyl-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248052
tert-butyl 4-formyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 130743558
tert-butyl (3R)-3-(aminomethyl)-3-methylpyrrolidine-1-carboxylate
CID 96566504
tert-butyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130609664
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-formyl-4-propoxypiperidine-1-carboxylate
CID 165494987
tert-butyl 4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-4-methylpiperidine-1-carboxylate
CID 107254572
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate (CID 166935935) is tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate is CC1(CCOC=O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate?
The InChIKey is HMIAMDGEKQAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-13(2,3)19-12(17)15-8-5-14(4,6-9-15)7-10-18-11-16/h11H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate?
tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-formyloxyethyl)-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 166935935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).