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

C17H24ClN — CID 3775071

IUPAC4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCN1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN/c1-2-3-4-5-12-19-13-10-16(11-14-19)15-6-8-17(18)9-7-15/h6-10H,2-5,11-14H2,1H3
InChIKeyCPGRGSVSMIOVBF-UHFFFAOYSA-N
MW277.84 g/mol
LogP5.01
Rot. Bonds6

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

4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine (PubChem CID 3775071) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
PubChem CID3775071
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC Name4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
SMILESCCCCCCN1CC=C(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN/c1-2-3-4-5-12-19-13-10-16(11-14-19)15-6-8-17(18)9-7-15/h6-10H,2-5,11-14H2,1H3
InChIKeyCPGRGSVSMIOVBF-UHFFFAOYSA-N
XLogP5.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.84
LogP ≤ 55.01
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-hexyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine (CID 3775071) is 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine is CCCCCCN1CC=C(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine?
The InChIKey is CPGRGSVSMIOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-2-3-4-5-12-19-13-10-16(11-14-19)15-6-8-17(18)9-7-15/h6-10H,2-5,11-14H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine?
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine has a molecular weight of 277.84 g/mol, XLogP of 5.01, 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-hexyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 3775071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).