1-(Cyclobutylmethyl)piperidine-4-carbaldehyde

C11H19NO — CID 65461855

IUPAC1-(cyclobutylmethyl)piperidine-4-carbaldehyde
SMILESC1CC(C1)CN2CCC(CC2)C=O
InChIInChI=1S/C11H19NO/c13-9-11-4-6-12(7-5-11)8-10-2-1-3-10/h9-11H,1-8H2
InChIKeyCHQTUUSLTYCPCD-UHFFFAOYSA-N
MW181.27 g/mol
LogP1.50
Rot. Bonds3

About 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde

1-(Cyclobutylmethyl)piperidine-4-carbaldehyde (PubChem CID 65461855) has the molecular formula C11H19NO and a molecular weight of 181.27 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(Cyclobutylmethyl)piperidine-4-carbaldehyde
PubChem CID65461855
Molecular FormulaC11H19NO
Molecular Weight181.27 g/mol
Exact Mass181.15
IUPAC Name1-(cyclobutylmethyl)piperidine-4-carbaldehyde
SMILESC1CC(C1)CN2CCC(CC2)C=O
InChIInChI=1S/C11H19NO/c13-9-11-4-6-12(7-5-11)8-10-2-1-3-10/h9-11H,1-8H2
InChIKeyCHQTUUSLTYCPCD-UHFFFAOYSA-N
XLogP1.50
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity169

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(Cyclobutylmethyl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde (CID 65461855) is 1-(cyclobutylmethyl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde is C1CC(C1)CN2CCC(CC2)C=O.
What is the InChIKey of 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde?
The InChIKey is CHQTUUSLTYCPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-9-11-4-6-12(7-5-11)8-10-2-1-3-10/h9-11H,1-8H2.
What are the key properties of 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde?
1-(Cyclobutylmethyl)piperidine-4-carbaldehyde has a molecular weight of 181.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Cyclobutylmethyl)piperidine-4-carbaldehyde is sourced from PubChem (CID 65461855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).