tert-butyl 2-formylpiperidine-1-carboxylate;ethane

C13H25NO3 — CID 145071320

IUPACtert-butyl 2-formylpiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCCCC1C=O
InChIInChI=1S/C11H19NO3.C2H6/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyMQTABUOWNTUDIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.00
Rot. Bonds1

About tert-butyl 2-formylpiperidine-1-carboxylate;ethane

tert-butyl 2-formylpiperidine-1-carboxylate;ethane (PubChem CID 145071320) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2-formylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 2-formylpiperidine-1-carboxylate;ethane
PubChem CID145071320
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2-formylpiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCCCC1C=O
InChIInChI=1S/C11H19NO3.C2H6/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;1-2/h8-9H,4-7H2,1-3H3;1-2H3
InChIKeyMQTABUOWNTUDIP-UHFFFAOYSA-N
XLogP3.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-formylpiperidine-1-carboxylate;tert-butyl 2-(hydroxymethyl)piperidine-1-carboxylate;methane
CID 160782701
(1-deuterio-2-methylpropan-2-yl) (2S)-2-formylpyrrolidine-1-carboxylate
CID 141124477
tert-butyl (2S)-2-(2-methylprop-1-enyl)piperidine-1-carboxylate
CID 45276350
tert-butyl 2-(2-formylpyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 18699591
tert-butyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398405
tert-butyl (2S)-2-[(E)-2-hydroxy-2-methoxyethenyl]piperidine-1-carboxylate
CID 10400233
CID 171369565
CID 171369565
tert-butyl (2R)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 52916325
(Z)-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 118937301
tert-butyl 2-(2-chloroethenyl)pyrrolidine-1-carboxylate
CID 150319571
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formylpiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 2-formylpiperidine-1-carboxylate;ethane (CID 145071320) is tert-butyl 2-formylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 2-formylpiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 2-formylpiperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCCCC1C=O.
What is the InChIKey of tert-butyl 2-formylpiperidine-1-carboxylate;ethane?
The InChIKey is MQTABUOWNTUDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.C2H6/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13;1-2/h8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of tert-butyl 2-formylpiperidine-1-carboxylate;ethane?
tert-butyl 2-formylpiperidine-1-carboxylate;ethane has a molecular weight of 243.35 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formylpiperidine-1-carboxylate;ethane is sourced from PubChem (CID 145071320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).