4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde

C12H23N3O — CID 2846675

IUPAC4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde
SMILESCCN1CCC(N2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-13-5-3-12(4-6-13)15-9-7-14(11-16)8-10-15/h11-12H,2-10H2,1H3
InChIKeyMBIZRSRZJQVWCQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.24
Rot. Bonds3

About 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde

4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde (PubChem CID 2846675) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde
PubChem CID2846675
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde
SMILESCCN1CCC(N2CCN(C=O)CC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-13-5-3-12(4-6-13)15-9-7-14(11-16)8-10-15/h11-12H,2-10H2,1H3
InChIKeyMBIZRSRZJQVWCQ-UHFFFAOYSA-N
XLogP0.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.24
H-Bond Donors ≤ 50
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 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde (CID 2846675) is 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde is CCN1CCC(N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde?
The InChIKey is MBIZRSRZJQVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-13-5-3-12(4-6-13)15-9-7-14(11-16)8-10-15/h11-12H,2-10H2,1H3.
What are the key properties of 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde?
4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde has a molecular weight of 225.34 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 2846675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).