2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde

C11H21NO2 — CID 87763810

IUPAC2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde
SMILESCC(C)(C)N1CCC(OCC=O)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)12-6-4-10(5-7-12)14-9-8-13/h8,10H,4-7,9H2,1-3H3
InChIKeyUUDMKOCSRUWVPH-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds3

About 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde

2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde (PubChem CID 87763810) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde
PubChem CID87763810
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde
SMILESCC(C)(C)N1CCC(OCC=O)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)12-6-4-10(5-7-12)14-9-8-13/h8,10H,4-7,9H2,1-3H3
InChIKeyUUDMKOCSRUWVPH-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
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

1-tert-butyl-4-[(2-methylpropan-2-yl)oxy]piperidine
CID 59522786
2-(1-tert-butylpiperidin-4-yl)oxy-N-ethylacetamide
CID 156523065
(3R)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651654
(3S)-1-tert-butyl-3-(3,3-dimethylbutoxy)pyrrolidine
CID 170651705
3-(1-methylpiperidin-4-yl)oxypropanal
CID 87150334
1-tert-butyl-4-[2-(oxolan-3-yloxy)ethyl]piperidine
CID 155138836
1-tert-butyl-4-ethylsulfanylpiperidine
CID 90326333
2-(oxolan-3-yloxy)acetaldehyde
CID 54518073
1-tert-butyl-4-(3-iodopropyl)piperidine
CID 118498974
tert-butyl formate;(1-tert-butylpiperidin-4-yl)hydrazine
CID 174702335
2-[(1-tert-butylpiperidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 118531599
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde (CID 87763810) is 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde is CC(C)(C)N1CCC(OCC=O)CC1.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde?
The InChIKey is UUDMKOCSRUWVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)12-6-4-10(5-7-12)14-9-8-13/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde?
2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde has a molecular weight of 199.29 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)oxyacetaldehyde is sourced from PubChem (CID 87763810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).