tert-butyl 4-formylpiperidine-1-carboxylate;methanol

C12H23NO4 — CID 162380340

IUPACtert-butyl 4-formylpiperidine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CCC(C=O)CC1.CO
InChIInChI=1S/C11H19NO3.CH4O/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-2/h8-9H,4-7H2,1-3H3;2H,1H3
InChIKeyWPMIKSGLQRFRMD-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.44
Rot. Bonds1

About tert-butyl 4-formylpiperidine-1-carboxylate;methanol

tert-butyl 4-formylpiperidine-1-carboxylate;methanol (PubChem CID 162380340) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 4-formylpiperidine-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl 4-formylpiperidine-1-carboxylate;methanol
PubChem CID162380340
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl 4-formylpiperidine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CCC(C=O)CC1.CO
InChIInChI=1S/C11H19NO3.CH4O/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-2/h8-9H,4-7H2,1-3H3;2H,1H3
InChIKeyWPMIKSGLQRFRMD-UHFFFAOYSA-N
XLogP1.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814
tert-butyl 4-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 11474132
tert-butyl (3S)-3-formylpyrrolidine-1-carboxylate;pyridine
CID 177023787
tert-butyl 4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 135345221
tert-butyl 3-formylazetidine-1-carboxylate;ethane;hydrate
CID 156709755
tert-butyl 4-[(1Z)-buta-1,3-dienyl]piperidine-1-carboxylate
CID 134982303
tert-butyl 4-[(E)-3-amino-3-oxoprop-1-enyl]piperidine-1-carboxylate
CID 122714834
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl (3R)-3-oxaldehydoylpyrrolidine-1-carboxylate
CID 171085787
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;methanol?
The IUPAC name of tert-butyl 4-formylpiperidine-1-carboxylate;methanol (CID 162380340) is tert-butyl 4-formylpiperidine-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl 4-formylpiperidine-1-carboxylate;methanol?
The canonical SMILES for tert-butyl 4-formylpiperidine-1-carboxylate;methanol is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CO.
What is the InChIKey of tert-butyl 4-formylpiperidine-1-carboxylate;methanol?
The InChIKey is WPMIKSGLQRFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.CH4O/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-2/h8-9H,4-7H2,1-3H3;2H,1H3.
What are the key properties of tert-butyl 4-formylpiperidine-1-carboxylate;methanol?
tert-butyl 4-formylpiperidine-1-carboxylate;methanol has a molecular weight of 245.32 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formylpiperidine-1-carboxylate;methanol is sourced from PubChem (CID 162380340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).