1-(hydroxymethyl)piperidine-2-carbaldehyde

C7H13NO2 — CID 173140559

IUPAC1-(hydroxymethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CO
InChIInChI=1S/C7H13NO2/c9-5-7-3-1-2-4-8(7)6-10/h5,7,10H,1-4,6H2
InChIKeyVUEMPSSGASDMFW-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.01
Rot. Bonds2

About 1-(hydroxymethyl)piperidine-2-carbaldehyde

1-(hydroxymethyl)piperidine-2-carbaldehyde (PubChem CID 173140559) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(hydroxymethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-(hydroxymethyl)piperidine-2-carbaldehyde
PubChem CID173140559
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(hydroxymethyl)piperidine-2-carbaldehyde
SMILESO=CC1CCCCN1CO
InChIInChI=1S/C7H13NO2/c9-5-7-3-1-2-4-8(7)6-10/h5,7,10H,1-4,6H2
InChIKeyVUEMPSSGASDMFW-UHFFFAOYSA-N
XLogP-0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(hydroxymethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-(hydroxymethyl)piperidine-2-carbaldehyde (CID 173140559) is 1-(hydroxymethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-(hydroxymethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-(hydroxymethyl)piperidine-2-carbaldehyde is O=CC1CCCCN1CO.
What is the InChIKey of 1-(hydroxymethyl)piperidine-2-carbaldehyde?
The InChIKey is VUEMPSSGASDMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c9-5-7-3-1-2-4-8(7)6-10/h5,7,10H,1-4,6H2.
What are the key properties of 1-(hydroxymethyl)piperidine-2-carbaldehyde?
1-(hydroxymethyl)piperidine-2-carbaldehyde has a molecular weight of 143.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 173140559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).