4-methylpiperidine-1-carbaldehyde

C7H13NO — CID 11804772

IUPAC4-methylpiperidine-1-carbaldehyde
SMILESCC1CCN(C=O)CC1
InChIInChI=1S/C7H13NO/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3
InChIKeyWCKITLGQGJSRBV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.87
Rot. Bonds1

About 4-methylpiperidine-1-carbaldehyde

4-methylpiperidine-1-carbaldehyde (PubChem CID 11804772) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-methylpiperidine-1-carbaldehyde
PubChem CID11804772
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methylpiperidine-1-carbaldehyde
SMILESCC1CCN(C=O)CC1
InChIInChI=1S/C7H13NO/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3
InChIKeyWCKITLGQGJSRBV-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.87
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-methylpiperidine-1-carbaldehyde?
The IUPAC name of 4-methylpiperidine-1-carbaldehyde (CID 11804772) is 4-methylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-methylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-methylpiperidine-1-carbaldehyde is CC1CCN(C=O)CC1.
What is the InChIKey of 4-methylpiperidine-1-carbaldehyde?
The InChIKey is WCKITLGQGJSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-2-4-8(6-9)5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 4-methylpiperidine-1-carbaldehyde?
4-methylpiperidine-1-carbaldehyde has a molecular weight of 127.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine-1-carbaldehyde is sourced from PubChem (CID 11804772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).