3-(2-chlorophenyl)piperazine-1-carbaldehyde

C11H13ClN2O — CID 174711160

IUPAC3-(2-chlorophenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11-7-14(8-15)6-5-13-11/h1-4,8,11,13H,5-7H2
InChIKeySQBSVZMFBQPHSW-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.44
Rot. Bonds2

About 3-(2-chlorophenyl)piperazine-1-carbaldehyde

3-(2-chlorophenyl)piperazine-1-carbaldehyde (PubChem CID 174711160) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(2-chlorophenyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name3-(2-chlorophenyl)piperazine-1-carbaldehyde
PubChem CID174711160
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-(2-chlorophenyl)piperazine-1-carbaldehyde
SMILESO=CN1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11-7-14(8-15)6-5-13-11/h1-4,8,11,13H,5-7H2
InChIKeySQBSVZMFBQPHSW-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.44
H-Bond Donors ≤ 51
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-(2-chlorophenyl)piperazine-1-carbaldehyde?
The IUPAC name of 3-(2-chlorophenyl)piperazine-1-carbaldehyde (CID 174711160) is 3-(2-chlorophenyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 3-(2-chlorophenyl)piperazine-1-carbaldehyde?
The canonical SMILES for 3-(2-chlorophenyl)piperazine-1-carbaldehyde is O=CN1CCNC(c2ccccc2Cl)C1.
What is the InChIKey of 3-(2-chlorophenyl)piperazine-1-carbaldehyde?
The InChIKey is SQBSVZMFBQPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-4-2-1-3-9(10)11-7-14(8-15)6-5-13-11/h1-4,8,11,13H,5-7H2.
What are the key properties of 3-(2-chlorophenyl)piperazine-1-carbaldehyde?
3-(2-chlorophenyl)piperazine-1-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 174711160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).