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

C13H16ClN — CID 14743013

IUPAC4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClN/c1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11/h2-6H,7-10H2,1H3
InChIKeySSXOJZSCNGNDFD-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.14
Rot. Bonds2

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

4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 14743013) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID14743013
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H16ClN/c1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11/h2-6H,7-10H2,1H3
InChIKeySSXOJZSCNGNDFD-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.14
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-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine (CID 14743013) is 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine is CN1CC=C(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is SSXOJZSCNGNDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c1-15-8-6-12(7-9-15)10-11-2-4-13(14)5-3-11/h2-6H,7-10H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine?
4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 221.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14743013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).