3-tert-butylpiperidine-1-carbaldehyde

C10H19NO — CID 59751402

IUPAC3-tert-butylpiperidine-1-carbaldehyde
SMILESCC(C)(C)C1CCCN(C=O)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)9-5-4-6-11(7-9)8-12/h8-9H,4-7H2,1-3H3
InChIKeyCNKYCAPTIPGSIW-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.90
Rot. Bonds1

About 3-tert-butylpiperidine-1-carbaldehyde

3-tert-butylpiperidine-1-carbaldehyde (PubChem CID 59751402) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-tert-butylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-tert-butylpiperidine-1-carbaldehyde
PubChem CID59751402
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-tert-butylpiperidine-1-carbaldehyde
SMILESCC(C)(C)C1CCCN(C=O)C1
InChIInChI=1S/C10H19NO/c1-10(2,3)9-5-4-6-11(7-9)8-12/h8-9H,4-7H2,1-3H3
InChIKeyCNKYCAPTIPGSIW-UHFFFAOYSA-N
XLogP1.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.90
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 3-tert-butylpiperidine-1-carbaldehyde?
The IUPAC name of 3-tert-butylpiperidine-1-carbaldehyde (CID 59751402) is 3-tert-butylpiperidine-1-carbaldehyde.
What is the SMILES notation for 3-tert-butylpiperidine-1-carbaldehyde?
The canonical SMILES for 3-tert-butylpiperidine-1-carbaldehyde is CC(C)(C)C1CCCN(C=O)C1.
What is the InChIKey of 3-tert-butylpiperidine-1-carbaldehyde?
The InChIKey is CNKYCAPTIPGSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)9-5-4-6-11(7-9)8-12/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-tert-butylpiperidine-1-carbaldehyde?
3-tert-butylpiperidine-1-carbaldehyde has a molecular weight of 169.27 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpiperidine-1-carbaldehyde is sourced from PubChem (CID 59751402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).