2-methoxypiperidine-1-carbaldehyde

C7H13NO2 — CID 2723667

IUPAC2-methoxypiperidine-1-carbaldehyde
SMILESCOC1CCCCN1C=O
InChIInChI=1S/C7H13NO2/c1-10-7-4-2-3-5-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyGMXVFNHJKDDELJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds2

About 2-methoxypiperidine-1-carbaldehyde

2-methoxypiperidine-1-carbaldehyde (PubChem CID 2723667) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methoxypiperidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methoxypiperidine-1-carbaldehyde
PubChem CID2723667
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methoxypiperidine-1-carbaldehyde
SMILESCOC1CCCCN1C=O
InChIInChI=1S/C7H13NO2/c1-10-7-4-2-3-5-8(7)6-9/h6-7H,2-5H2,1H3
InChIKeyGMXVFNHJKDDELJ-UHFFFAOYSA-N
XLogP0.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
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 2-methoxypiperidine-1-carbaldehyde?
The IUPAC name of 2-methoxypiperidine-1-carbaldehyde (CID 2723667) is 2-methoxypiperidine-1-carbaldehyde.
What is the SMILES notation for 2-methoxypiperidine-1-carbaldehyde?
The canonical SMILES for 2-methoxypiperidine-1-carbaldehyde is COC1CCCCN1C=O.
What is the InChIKey of 2-methoxypiperidine-1-carbaldehyde?
The InChIKey is GMXVFNHJKDDELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-7-4-2-3-5-8(7)6-9/h6-7H,2-5H2,1H3.
What are the key properties of 2-methoxypiperidine-1-carbaldehyde?
2-methoxypiperidine-1-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of 0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypiperidine-1-carbaldehyde is sourced from PubChem (CID 2723667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).