5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde

C17H16Cl2N2O — CID 174696858

IUPAC5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
SMILESO=CC1CCC(c2cccc(Cl)c2)C(c2ccc(Cl)cn2)N1
InChIInChI=1S/C17H16Cl2N2O/c18-12-3-1-2-11(8-12)15-6-5-14(10-22)21-17(15)16-7-4-13(19)9-20-16/h1-4,7-10,14-15,17,21H,5-6H2
InChIKeyJLIDOIULUIJLEE-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.16
Rot. Bonds3

About 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde

5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde (PubChem CID 174696858) has the molecular formula C17H16Cl2N2O and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
PubChem CID174696858
Molecular FormulaC17H16Cl2N2O
Molecular Weight335.23 g/mol
Exact Mass334.06
IUPAC Name5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde
SMILESO=CC1CCC(c2cccc(Cl)c2)C(c2ccc(Cl)cn2)N1
InChIInChI=1S/C17H16Cl2N2O/c18-12-3-1-2-11(8-12)15-6-5-14(10-22)21-17(15)16-7-4-13(19)9-20-16/h1-4,7-10,14-15,17,21H,5-6H2
InChIKeyJLIDOIULUIJLEE-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.16
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

2-(3-chlorophenyl)cyclobutane-1-carbaldehyde
CID 105448643
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921
2,4-bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one
CID 91327532
(4S,5S)-5-(3-chlorophenyl)-4-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-amine
CID 71129624
(3S,5R,6S)-5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)-3-methyl-1-(1-morpholin-4-ylbutan-2-yl)-3-prop-2-enylpiperidine-2-carbaldehyde
CID 175126836
1-[(1R,2R)-2-bromocyclopropyl]-3-chlorobenzene
CID 15269278
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197
4-amino-5-(3-chlorophenyl)-1,5-dihydroimidazol-2-one
CID 79960805
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
5-(3-chlorophenyl)-2-piperidin-4-yl-4,5-dihydro-1,3-oxazole
CID 115061491
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The IUPAC name of 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde (CID 174696858) is 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The canonical SMILES for 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde is O=CC1CCC(c2cccc(Cl)c2)C(c2ccc(Cl)cn2)N1.
What is the InChIKey of 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
The InChIKey is JLIDOIULUIJLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O/c18-12-3-1-2-11(8-12)15-6-5-14(10-22)21-17(15)16-7-4-13(19)9-20-16/h1-4,7-10,14-15,17,21H,5-6H2.
What are the key properties of 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde?
5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde has a molecular weight of 335.23 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-6-(5-chloro-2-pyridinyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174696858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).