4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde

C11H21NO — CID 88969545

IUPAC4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde
SMILESCCC(C)(C)C1CCN(C=O)CC1
InChIInChI=1S/C11H21NO/c1-4-11(2,3)10-5-7-12(9-13)8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyXVTSIFYPTNMOOX-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.29
Rot. Bonds3

About 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde

4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde (PubChem CID 88969545) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde
PubChem CID88969545
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde
SMILESCCC(C)(C)C1CCN(C=O)CC1
InChIInChI=1S/C11H21NO/c1-4-11(2,3)10-5-7-12(9-13)8-6-10/h9-10H,4-8H2,1-3H3
InChIKeyXVTSIFYPTNMOOX-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde (CID 88969545) is 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde is CCC(C)(C)C1CCN(C=O)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde?
The InChIKey is XVTSIFYPTNMOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(2,3)10-5-7-12(9-13)8-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde?
4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde has a molecular weight of 183.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 88969545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).