3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde

C13H26N2O — CID 87626736

IUPAC3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde
SMILESCCN(CC)CCCC1CCCN(C=O)C1
InChIInChI=1S/C13H26N2O/c1-3-14(4-2)9-5-7-13-8-6-10-15(11-13)12-16/h12-13H,3-11H2,1-2H3
InChIKeyIWAZPKLAGIKSOT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds7

About 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde

3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde (PubChem CID 87626736) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde
PubChem CID87626736
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde
SMILESCCN(CC)CCCC1CCCN(C=O)C1
InChIInChI=1S/C13H26N2O/c1-3-14(4-2)9-5-7-13-8-6-10-15(11-13)12-16/h12-13H,3-11H2,1-2H3
InChIKeyIWAZPKLAGIKSOT-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
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 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde?
The IUPAC name of 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde (CID 87626736) is 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde?
The canonical SMILES for 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde is CCN(CC)CCCC1CCCN(C=O)C1.
What is the InChIKey of 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde?
The InChIKey is IWAZPKLAGIKSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-14(4-2)9-5-7-13-8-6-10-15(11-13)12-16/h12-13H,3-11H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde?
3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde has a molecular weight of 226.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 87626736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).