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

C11H13ClN2O — CID 174390432

IUPAC1-(3-chlorophenyl)piperazine-2-carbaldehyde
SMILESO=CC1CNCCN1c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-3-10(6-9)14-5-4-13-7-11(14)8-15/h1-3,6,8,11,13H,4-5,7H2
InChIKeyIKLNMSVROOXUAO-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.32
Rot. Bonds2

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

1-(3-chlorophenyl)piperazine-2-carbaldehyde (PubChem CID 174390432) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)piperazine-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)piperazine-2-carbaldehyde
PubChem CID174390432
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(3-chlorophenyl)piperazine-2-carbaldehyde
SMILESO=CC1CNCCN1c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c12-9-2-1-3-10(6-9)14-5-4-13-7-11(14)8-15/h1-3,6,8,11,13H,4-5,7H2
InChIKeyIKLNMSVROOXUAO-UHFFFAOYSA-N
XLogP1.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-fluorophenyl)-2-ethenylpiperazine
CID 11593913
10-[2-(3-chlorophenyl)ethenyl]-2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one
CID 67250200
1-(5-fluoropyrimidin-2-yl)piperazine-2-carbaldehyde
CID 22107040
2-chloro-1-(3-methylphenyl)piperazine;hydrochloride
CID 21073271
1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
CID 118115135
2-(3-bromophenyl)-1-(3-chlorophenyl)imidazolidine
CID 100951353
3-[(2S)-2-methylpiperazin-1-yl]benzoic acid
CID 45073187
3-[(2S)-2-(2-methylpropyl)piperazin-1-yl]benzoic acid
CID 45072796
2-(3-chlorophenyl)-1-prop-2-enylpiperazine
CID 120770958
2-(3-chlorophenyl)-1,3-dihydro-1,2,4-triazole-3-carbaldehyde
CID 174495047
1-(3-chloro-4-methylphenyl)-2-methylpiperazine
CID 64939185
1-(3-chlorophenyl)-2-(4-methoxyphenyl)imidazolidine
CID 100951358

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)piperazine-2-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)piperazine-2-carbaldehyde (CID 174390432) is 1-(3-chlorophenyl)piperazine-2-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)piperazine-2-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)piperazine-2-carbaldehyde is O=CC1CNCCN1c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)piperazine-2-carbaldehyde?
The InChIKey is IKLNMSVROOXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-2-1-3-10(6-9)14-5-4-13-7-11(14)8-15/h1-3,6,8,11,13H,4-5,7H2.
What are the key properties of 1-(3-chlorophenyl)piperazine-2-carbaldehyde?
1-(3-chlorophenyl)piperazine-2-carbaldehyde has a molecular weight of 224.69 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)piperazine-2-carbaldehyde is sourced from PubChem (CID 174390432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).