1-cyclobutylpiperidine-4-carbaldehyde

C10H17NO — CID 84765312

IUPAC1-cyclobutylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCC2)CC1
InChIInChI=1S/C10H17NO/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h8-10H,1-7H2
InChIKeyNNEINOCBKRWDSJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds2

About 1-cyclobutylpiperidine-4-carbaldehyde

1-cyclobutylpiperidine-4-carbaldehyde (PubChem CID 84765312) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-cyclobutylpiperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-cyclobutylpiperidine-4-carbaldehyde
PubChem CID84765312
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-cyclobutylpiperidine-4-carbaldehyde
SMILESO=CC1CCN(C2CCC2)CC1
InChIInChI=1S/C10H17NO/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h8-10H,1-7H2
InChIKeyNNEINOCBKRWDSJ-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
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-cyclobutylpiperidine-4-carbaldehyde?
The IUPAC name of 1-cyclobutylpiperidine-4-carbaldehyde (CID 84765312) is 1-cyclobutylpiperidine-4-carbaldehyde.
What is the SMILES notation for 1-cyclobutylpiperidine-4-carbaldehyde?
The canonical SMILES for 1-cyclobutylpiperidine-4-carbaldehyde is O=CC1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutylpiperidine-4-carbaldehyde?
The InChIKey is NNEINOCBKRWDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-8-9-4-6-11(7-5-9)10-2-1-3-10/h8-10H,1-7H2.
What are the key properties of 1-cyclobutylpiperidine-4-carbaldehyde?
1-cyclobutylpiperidine-4-carbaldehyde has a molecular weight of 167.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperidine-4-carbaldehyde is sourced from PubChem (CID 84765312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).