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

C11H13Cl2N — CID 71757822

IUPAC4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Clc1ccccc1C1=CCNCC1
InChIInChI=1S/C11H12ClN.ClH/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-5,13H,6-8H2;1H
InChIKeySPDVAUQNCUGMKN-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.14
Rot. Bonds1

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

4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 71757822) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID71757822
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.Clc1ccccc1C1=CCNCC1
InChIInChI=1S/C11H12ClN.ClH/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-5,13H,6-8H2;1H
InChIKeySPDVAUQNCUGMKN-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-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 71757822) is 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.Clc1ccccc1C1=CCNCC1.
What is the InChIKey of 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is SPDVAUQNCUGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN.ClH/c12-11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-5,13H,6-8H2;1H.
What are the key properties of 4-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(2-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-(2-chlorophenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 71757822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).