4-(2-chlorobenzoyl)piperazine-1-carbaldehyde

C12H13ClN2O2 — CID 893064

IUPAC4-(2-chlorobenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C12H13ClN2O2/c13-11-4-2-1-3-10(11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2
InChIKeyRIYXBHPXDNXIFY-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.25
Rot. Bonds2

About 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde

4-(2-chlorobenzoyl)piperazine-1-carbaldehyde (PubChem CID 893064) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-chlorobenzoyl)piperazine-1-carbaldehyde
PubChem CID893064
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-(2-chlorobenzoyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C12H13ClN2O2/c13-11-4-2-1-3-10(11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2
InChIKeyRIYXBHPXDNXIFY-UHFFFAOYSA-N
XLogP1.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.25
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-chlorobenzoyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde (CID 893064) is 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde?
The InChIKey is RIYXBHPXDNXIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c13-11-4-2-1-3-10(11)12(17)15-7-5-14(9-16)6-8-15/h1-4,9H,5-8H2.
What are the key properties of 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde?
4-(2-chlorobenzoyl)piperazine-1-carbaldehyde has a molecular weight of 252.70 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzoyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 893064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).