tert-butyl formate;piperidine-2-carbaldehyde

C11H21NO3 — CID 161184138

IUPACtert-butyl formate;piperidine-2-carbaldehyde
SMILESCC(C)(C)OC=O.O=CC1CCCCN1
InChIInChI=1S/C6H11NO.C5H10O2/c8-5-6-3-1-2-4-7-6;1-5(2,3)7-4-6/h5-7H,1-4H2;4H,1-3H3
InChIKeyUSWAOKDFQZTIRZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.29
Rot. Bonds2

About tert-butyl formate;piperidine-2-carbaldehyde

tert-butyl formate;piperidine-2-carbaldehyde (PubChem CID 161184138) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl formate;piperidine-2-carbaldehyde.

Molecular Properties

Compound Nametert-butyl formate;piperidine-2-carbaldehyde
PubChem CID161184138
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl formate;piperidine-2-carbaldehyde
SMILESCC(C)(C)OC=O.O=CC1CCCCN1
InChIInChI=1S/C6H11NO.C5H10O2/c8-5-6-3-1-2-4-7-6;1-5(2,3)7-4-6/h5-7H,1-4H2;4H,1-3H3
InChIKeyUSWAOKDFQZTIRZ-UHFFFAOYSA-N
XLogP1.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;piperidine-2-carbaldehyde?
The IUPAC name of tert-butyl formate;piperidine-2-carbaldehyde (CID 161184138) is tert-butyl formate;piperidine-2-carbaldehyde.
What is the SMILES notation for tert-butyl formate;piperidine-2-carbaldehyde?
The canonical SMILES for tert-butyl formate;piperidine-2-carbaldehyde is CC(C)(C)OC=O.O=CC1CCCCN1.
What is the InChIKey of tert-butyl formate;piperidine-2-carbaldehyde?
The InChIKey is USWAOKDFQZTIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C5H10O2/c8-5-6-3-1-2-4-7-6;1-5(2,3)7-4-6/h5-7H,1-4H2;4H,1-3H3.
What are the key properties of tert-butyl formate;piperidine-2-carbaldehyde?
tert-butyl formate;piperidine-2-carbaldehyde has a molecular weight of 215.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;piperidine-2-carbaldehyde is sourced from PubChem (CID 161184138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).