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

C11H13Cl2N — CID 57404444

IUPAC4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Clc1cccc(C2=CCNCC2)c1
InChIInChI=1S/C11H12ClN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-4,8,13H,5-7H2;1H
InChIKeyWHJHLHRSTDZYND-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.14
Rot. Bonds1

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

4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 57404444) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID57404444
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Clc1cccc(C2=CCNCC2)c1
InChIInChI=1S/C11H12ClN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-4,8,13H,5-7H2;1H
InChIKeyWHJHLHRSTDZYND-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 57404444) is 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.Clc1cccc(C2=CCNCC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is WHJHLHRSTDZYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN.ClH/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9;/h1-4,8,13H,5-7H2;1H.
What are the key properties of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 230.14 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 57404444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).