1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine

C15H20ClN — CID 130186827

IUPAC1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN/c1-12(2)14-4-3-9-17(11-14)10-13-5-7-15(16)8-6-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyNOSBNBSHCRICDN-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.13
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine

1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 130186827) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID130186827
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20ClN/c1-12(2)14-4-3-9-17(11-14)10-13-5-7-15(16)8-6-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyNOSBNBSHCRICDN-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine (CID 130186827) is 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is NOSBNBSHCRICDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-12(2)14-4-3-9-17(11-14)10-13-5-7-15(16)8-6-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine?
1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 249.78 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130186827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).