1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine

C18H18ClN — CID 141269608

IUPAC1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
SMILESClc1ccc(C2=CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H18ClN/c19-18-10-8-16(9-11-18)17-7-4-12-20(14-17)13-15-5-2-1-3-6-15/h1-3,5-11H,4,12-14H2
InChIKeySSKHBUANPJLWKM-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.63
Rot. Bonds3

About 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine

1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine (PubChem CID 141269608) has the molecular formula C18H18ClN and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
PubChem CID141269608
Molecular FormulaC18H18ClN
Molecular Weight283.80 g/mol
Exact Mass283.11
IUPAC Name1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
SMILESClc1ccc(C2=CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H18ClN/c19-18-10-8-16(9-11-18)17-7-4-12-20(14-17)13-15-5-2-1-3-6-15/h1-3,5-11H,4,12-14H2
InChIKeySSKHBUANPJLWKM-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 19095580
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
CID 117205582
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)-7-chloro-1H-indole
CID 168941755
3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1,5-dibenzyl-3-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 11742503
1-[(4-chlorophenyl)methyl]-5-propan-2-yl-3,6-dihydro-2H-pyridine
CID 130186827
2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)indole-1-carboxylic acid
CID 118111849
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
4-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)aniline
CID 141303290
benzyl 3-(4-chlorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 11507904

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine (CID 141269608) is 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine is Clc1ccc(C2=CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SSKHBUANPJLWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN/c19-18-10-8-16(9-11-18)17-7-4-12-20(14-17)13-15-5-2-1-3-6-15/h1-3,5-11H,4,12-14H2.
What are the key properties of 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine?
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 283.80 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141269608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).