1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde

C11H21NO2 — CID 114496935

IUPAC1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
SMILESCCC(C)(O)CN1CCCC(C=O)C1
InChIInChI=1S/C11H21NO2/c1-3-11(2,14)9-12-6-4-5-10(7-12)8-13/h8,10,14H,3-7,9H2,1-2H3
InChIKeyURTIXWQVHKDLKU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.06
Rot. Bonds4

About 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde

1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde (PubChem CID 114496935) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
PubChem CID114496935
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde
SMILESCCC(C)(O)CN1CCCC(C=O)C1
InChIInChI=1S/C11H21NO2/c1-3-11(2,14)9-12-6-4-5-10(7-12)8-13/h8,10,14H,3-7,9H2,1-2H3
InChIKeyURTIXWQVHKDLKU-UHFFFAOYSA-N
XLogP1.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde (CID 114496935) is 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde is CCC(C)(O)CN1CCCC(C=O)C1.
What is the InChIKey of 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde?
The InChIKey is URTIXWQVHKDLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(2,14)9-12-6-4-5-10(7-12)8-13/h8,10,14H,3-7,9H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde?
1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde has a molecular weight of 199.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylbutyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 114496935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).