4-[3-(methylamino)propyl]piperidine-1-carbaldehyde

C10H20N2O — CID 166684107

IUPAC4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
SMILESCNCCCC1CCN(C=O)CC1
InChIInChI=1S/C10H20N2O/c1-11-6-2-3-10-4-7-12(9-13)8-5-10/h9-11H,2-8H2,1H3
InChIKeyVREFDBKOGDDXEC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds5

About 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde

4-[3-(methylamino)propyl]piperidine-1-carbaldehyde (PubChem CID 166684107) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
PubChem CID166684107
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[3-(methylamino)propyl]piperidine-1-carbaldehyde
SMILESCNCCCC1CCN(C=O)CC1
InChIInChI=1S/C10H20N2O/c1-11-6-2-3-10-4-7-12(9-13)8-5-10/h9-11H,2-8H2,1H3
InChIKeyVREFDBKOGDDXEC-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde (CID 166684107) is 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde is CNCCCC1CCN(C=O)CC1.
What is the InChIKey of 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde?
The InChIKey is VREFDBKOGDDXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-6-2-3-10-4-7-12(9-13)8-5-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde?
4-[3-(methylamino)propyl]piperidine-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)propyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 166684107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).