1-(2-methylidenebutyl)piperidine-3-carbaldehyde

C11H19NO — CID 66037359

IUPAC1-(2-methylidenebutyl)piperidine-3-carbaldehyde
SMILESC=C(CC)CN1CCCC(C=O)C1
InChIInChI=1S/C11H19NO/c1-3-10(2)7-12-6-4-5-11(8-12)9-13/h9,11H,2-8H2,1H3
InChIKeyAOTZJVQYELHZNU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds4

About 1-(2-methylidenebutyl)piperidine-3-carbaldehyde

1-(2-methylidenebutyl)piperidine-3-carbaldehyde (PubChem CID 66037359) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(2-methylidenebutyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-methylidenebutyl)piperidine-3-carbaldehyde
PubChem CID66037359
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(2-methylidenebutyl)piperidine-3-carbaldehyde
SMILESC=C(CC)CN1CCCC(C=O)C1
InChIInChI=1S/C11H19NO/c1-3-10(2)7-12-6-4-5-11(8-12)9-13/h9,11H,2-8H2,1H3
InChIKeyAOTZJVQYELHZNU-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenebutyl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(2-methylidenebutyl)piperidine-3-carbaldehyde (CID 66037359) is 1-(2-methylidenebutyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(2-methylidenebutyl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(2-methylidenebutyl)piperidine-3-carbaldehyde is C=C(CC)CN1CCCC(C=O)C1.
What is the InChIKey of 1-(2-methylidenebutyl)piperidine-3-carbaldehyde?
The InChIKey is AOTZJVQYELHZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10(2)7-12-6-4-5-11(8-12)9-13/h9,11H,2-8H2,1H3.
What are the key properties of 1-(2-methylidenebutyl)piperidine-3-carbaldehyde?
1-(2-methylidenebutyl)piperidine-3-carbaldehyde has a molecular weight of 181.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenebutyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 66037359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).