4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride

C11H12Cl3N — CID 67299387

IUPAC4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Clc1ccc(C2=CCNCC2)cc1Cl
InChIInChI=1S/C11H11Cl2N.ClH/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;/h1-3,7,14H,4-6H2;1H
InChIKeyKUXJCRHVVUAUGO-UHFFFAOYSA-N
MW264.58 g/mol
LogP3.79
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride

4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 67299387) has the molecular formula C11H12Cl3N and a molecular weight of 264.58 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID67299387
Molecular FormulaC11H12Cl3N
Molecular Weight264.58 g/mol
Exact Mass263.00
IUPAC Name4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Clc1ccc(C2=CCNCC2)cc1Cl
InChIInChI=1S/C11H11Cl2N.ClH/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;/h1-3,7,14H,4-6H2;1H
InChIKeyKUXJCRHVVUAUGO-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.58
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 67299387) is 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.Clc1ccc(C2=CCNCC2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is KUXJCRHVVUAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N.ClH/c12-10-2-1-9(7-11(10)13)8-3-5-14-6-4-8;/h1-3,7,14H,4-6H2;1H.
What are the key properties of 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 264.58 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 67299387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).