4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine

C14H18ClN — CID 14743039

IUPAC4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN/c1-16-9-7-12(8-10-16)5-6-13-3-2-4-14(15)11-13/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyZDKXXSVUVFEDNA-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.53
Rot. Bonds3

About 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine

4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 14743039) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID14743039
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN/c1-16-9-7-12(8-10-16)5-6-13-3-2-4-14(15)11-13/h2-4,7,11H,5-6,8-10H2,1H3
InChIKeyZDKXXSVUVFEDNA-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 14743039) is 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is ZDKXXSVUVFEDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c1-16-9-7-12(8-10-16)5-6-13-3-2-4-14(15)11-13/h2-4,7,11H,5-6,8-10H2,1H3.
What are the key properties of 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 235.76 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14743039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).