4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde

C10H20N2O — CID 87381497

IUPAC4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde
SMILESCN(C)CCC1CCN(C=O)CC1
InChIInChI=1S/C10H20N2O/c1-11(2)6-3-10-4-7-12(9-13)8-5-10/h9-10H,3-8H2,1-2H3
InChIKeyMOEWXPZLYVQHPI-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.81
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde

4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde (PubChem CID 87381497) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde
PubChem CID87381497
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde
SMILESCN(C)CCC1CCN(C=O)CC1
InChIInChI=1S/C10H20N2O/c1-11(2)6-3-10-4-7-12(9-13)8-5-10/h9-10H,3-8H2,1-2H3
InChIKeyMOEWXPZLYVQHPI-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.81
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 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde (CID 87381497) is 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde is CN(C)CCC1CCN(C=O)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde?
The InChIKey is MOEWXPZLYVQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11(2)6-3-10-4-7-12(9-13)8-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde?
4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]piperidine-1-carbaldehyde is sourced from PubChem (CID 87381497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).