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

C22H24ClNO2 — CID 14182270

IUPACbenzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCCN1CCC(c2ccc(Cl)cc2)=C(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C22H24ClNO2/c1-2-13-24-14-12-20(18-8-10-19(23)11-9-18)21(15-24)22(25)26-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyNIPDZNPLZGUEEU-UHFFFAOYSA-N
MW369.89 g/mol
LogP4.95
Rot. Bonds6

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

benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 14182270) has the molecular formula C22H24ClNO2 and a molecular weight of 369.89 g/mol. Its IUPAC name is benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID14182270
Molecular FormulaC22H24ClNO2
Molecular Weight369.89 g/mol
Exact Mass369.15
IUPAC Namebenzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCCN1CCC(c2ccc(Cl)cc2)=C(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C22H24ClNO2/c1-2-13-24-14-12-20(18-8-10-19(23)11-9-18)21(15-24)22(25)26-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyNIPDZNPLZGUEEU-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 5281069
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CID 5356652
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CID 10135721
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CID 9868848
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CID 14306385
CID 14306385
CID 24874575
CID 24874575
CID 45265114
CID 45265114
CID 4067863
CID 4067863
CID 10760249
CID 10760249
CID 11186983
CID 11186983
CID 14182203
CID 14182203
CID 14182251
CID 14182251

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 14182270) is benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCCN1CCC(c2ccc(Cl)cc2)=C(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is NIPDZNPLZGUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO2/c1-2-13-24-14-12-20(18-8-10-19(23)11-9-18)21(15-24)22(25)26-16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 369.89 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-chlorophenyl)-1-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 14182270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).