1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde

C13H15Cl2NO — CID 65318635

IUPAC1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H15Cl2NO/c14-12-1-2-13(15)11(7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,9-10H,3-6,8H2
InChIKeyJVXQRCLJBGTLAT-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.40
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde

1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde (PubChem CID 65318635) has the molecular formula C13H15Cl2NO and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
PubChem CID65318635
Molecular FormulaC13H15Cl2NO
Molecular Weight272.17 g/mol
Exact Mass271.05
IUPAC Name1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
SMILESO=CC1CCN(Cc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C13H15Cl2NO/c14-12-1-2-13(15)11(7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,9-10H,3-6,8H2
InChIKeyJVXQRCLJBGTLAT-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.40
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 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde (CID 65318635) is 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde is O=CC1CCN(Cc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde?
The InChIKey is JVXQRCLJBGTLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO/c14-12-1-2-13(15)11(7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,9-10H,3-6,8H2.
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde?
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde has a molecular weight of 272.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 65318635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).