4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine

C21H24ClN — CID 18790204

IUPAC4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine
SMILESClc1ccc(C2=CCN(CCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24ClN/c22-21-11-9-19(10-12-21)20-13-16-23(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13H,4-5,8,14-17H2
InChIKeyPWBCBOHXIIXQMW-UHFFFAOYSA-N
MW325.88 g/mol
LogP5.45
Rot. Bonds6

About 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine

4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine (PubChem CID 18790204) has the molecular formula C21H24ClN and a molecular weight of 325.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine
PubChem CID18790204
Molecular FormulaC21H24ClN
Molecular Weight325.88 g/mol
Exact Mass325.16
IUPAC Name4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine
SMILESClc1ccc(C2=CCN(CCCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24ClN/c22-21-11-9-19(10-12-21)20-13-16-23(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13H,4-5,8,14-17H2
InChIKeyPWBCBOHXIIXQMW-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.88
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine (CID 18790204) is 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine is Clc1ccc(C2=CCN(CCCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine?
The InChIKey is PWBCBOHXIIXQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN/c22-21-11-9-19(10-12-21)20-13-16-23(17-14-20)15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-13H,4-5,8,14-17H2.
What are the key properties of 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine?
4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine has a molecular weight of 325.88 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(4-phenylbutyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 18790204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).