tert-butyl formate;2-piperidin-2-ylacetaldehyde

C12H23NO3 — CID 174623729

IUPACtert-butyl formate;2-piperidin-2-ylacetaldehyde
SMILESCC(C)(C)OC=O.O=CCC1CCCCN1
InChIInChI=1S/C7H13NO.C5H10O2/c9-6-4-7-3-1-2-5-8-7;1-5(2,3)7-4-6/h6-8H,1-5H2;4H,1-3H3
InChIKeyOZNQMGSMGMZOGG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.68
Rot. Bonds3

About tert-butyl formate;2-piperidin-2-ylacetaldehyde

tert-butyl formate;2-piperidin-2-ylacetaldehyde (PubChem CID 174623729) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl formate;2-piperidin-2-ylacetaldehyde.

Molecular Properties

Compound Nametert-butyl formate;2-piperidin-2-ylacetaldehyde
PubChem CID174623729
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl formate;2-piperidin-2-ylacetaldehyde
SMILESCC(C)(C)OC=O.O=CCC1CCCCN1
InChIInChI=1S/C7H13NO.C5H10O2/c9-6-4-7-3-1-2-5-8-7;1-5(2,3)7-4-6/h6-8H,1-5H2;4H,1-3H3
InChIKeyOZNQMGSMGMZOGG-UHFFFAOYSA-N
XLogP1.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl formate;2-piperidin-2-ylacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl formate;[(2S)-pyrrolidin-2-yl]methanamine
CID 174792425
tert-butyl formate;piperidine-2-carbaldehyde
CID 161184138
(2S)-2-(azidomethyl)pyrrolidine;tert-butyl formate
CID 174792433
tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate
CID 175149663
tert-butyl formate;1-piperidin-2-ylethanol
CID 174623735
2-piperidin-2-ylpropan-2-yl formate
CID 18700209
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
tert-butyl formate;(2S)-2-ethylpiperazine
CID 174740431
tert-butyl formate;[(2S)-piperazin-2-yl]methanol
CID 159575377
2-[(E)-but-2-enyl]piperidine
CID 10261169
(2S)-2-[(E)-but-2-enyl]piperidine
CID 102286170
tert-butyl formate;cyclopentanamine;methanamine
CID 177039317

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;2-piperidin-2-ylacetaldehyde?
The IUPAC name of tert-butyl formate;2-piperidin-2-ylacetaldehyde (CID 174623729) is tert-butyl formate;2-piperidin-2-ylacetaldehyde.
What is the SMILES notation for tert-butyl formate;2-piperidin-2-ylacetaldehyde?
The canonical SMILES for tert-butyl formate;2-piperidin-2-ylacetaldehyde is CC(C)(C)OC=O.O=CCC1CCCCN1.
What is the InChIKey of tert-butyl formate;2-piperidin-2-ylacetaldehyde?
The InChIKey is OZNQMGSMGMZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C5H10O2/c9-6-4-7-3-1-2-5-8-7;1-5(2,3)7-4-6/h6-8H,1-5H2;4H,1-3H3.
What are the key properties of tert-butyl formate;2-piperidin-2-ylacetaldehyde?
tert-butyl formate;2-piperidin-2-ylacetaldehyde has a molecular weight of 229.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;2-piperidin-2-ylacetaldehyde is sourced from PubChem (CID 174623729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).