1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine

C14H17Cl2NO — CID 15521042

IUPAC1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine
SMILESClc1ccc(OCCCN2CC=CCC2)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h1-2,5-6,11H,3-4,7-10H2
InChIKeyBDBKTQWAORGGJI-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.02
Rot. Bonds5

About 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine

1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine (PubChem CID 15521042) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine
PubChem CID15521042
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine
SMILESClc1ccc(OCCCN2CC=CCC2)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h1-2,5-6,11H,3-4,7-10H2
InChIKeyBDBKTQWAORGGJI-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine (CID 15521042) is 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine is Clc1ccc(OCCCN2CC=CCC2)c(Cl)c1.
What is the InChIKey of 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine?
The InChIKey is BDBKTQWAORGGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-12-5-6-14(13(16)11-12)18-10-4-9-17-7-2-1-3-8-17/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine?
1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine has a molecular weight of 286.20 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenoxy)propyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 15521042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).