4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde

C12H23N3O — CID 82080873

IUPAC4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H23N3O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h12H,1-11H2
InChIKeyUBKKUMCVDREXJP-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.25
Rot. Bonds4

About 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde

4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde (PubChem CID 82080873) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde
PubChem CID82080873
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCN2CCCCC2)CC1
InChIInChI=1S/C12H23N3O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h12H,1-11H2
InChIKeyUBKKUMCVDREXJP-UHFFFAOYSA-N
XLogP0.25
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.25
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-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde (CID 82080873) is 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde is O=CN1CCN(CCN2CCCCC2)CC1.
What is the InChIKey of 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde?
The InChIKey is UBKKUMCVDREXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h12H,1-11H2.
What are the key properties of 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde?
4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde has a molecular weight of 225.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 82080873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).