2-(4-piperidin-1-ylphenyl)acetyl chloride

C13H16ClNO — CID 142664948

IUPAC2-(4-piperidin-1-ylphenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H16ClNO/c14-13(16)10-11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChIKeyZGMDDRHLCSJSAQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.98
Rot. Bonds3

About 2-(4-piperidin-1-ylphenyl)acetyl chloride

2-(4-piperidin-1-ylphenyl)acetyl chloride (PubChem CID 142664948) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylphenyl)acetyl chloride.

Molecular Properties

Compound Name2-(4-piperidin-1-ylphenyl)acetyl chloride
PubChem CID142664948
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(4-piperidin-1-ylphenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C13H16ClNO/c14-13(16)10-11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2
InChIKeyZGMDDRHLCSJSAQ-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylphenyl)acetyl chloride?
The IUPAC name of 2-(4-piperidin-1-ylphenyl)acetyl chloride (CID 142664948) is 2-(4-piperidin-1-ylphenyl)acetyl chloride.
What is the SMILES notation for 2-(4-piperidin-1-ylphenyl)acetyl chloride?
The canonical SMILES for 2-(4-piperidin-1-ylphenyl)acetyl chloride is O=C(Cl)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(4-piperidin-1-ylphenyl)acetyl chloride?
The InChIKey is ZGMDDRHLCSJSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-13(16)10-11-4-6-12(7-5-11)15-8-2-1-3-9-15/h4-7H,1-3,8-10H2.
What are the key properties of 2-(4-piperidin-1-ylphenyl)acetyl chloride?
2-(4-piperidin-1-ylphenyl)acetyl chloride has a molecular weight of 237.73 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylphenyl)acetyl chloride is sourced from PubChem (CID 142664948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).