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

C11H12ClN — CID 10583942

IUPAC4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine
SMILESClc1cccc(C2=CCNCC2)c1
InChIInChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
InChIKeyGUMKLSMBRGGWAH-UHFFFAOYSA-N
MW193.68 g/mol
LogP2.72
Rot. Bonds1

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

4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 10583942) has the molecular formula C11H12ClN and a molecular weight of 193.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine
PubChem CID10583942
Molecular FormulaC11H12ClN
Molecular Weight193.68 g/mol
Exact Mass193.07
IUPAC Name4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine
SMILESClc1cccc(C2=CCNCC2)c1
InChIInChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2
InChIKeyGUMKLSMBRGGWAH-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 52.72
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?
The IUPAC name of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine (CID 10583942) is 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine is Clc1cccc(C2=CCNCC2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is GUMKLSMBRGGWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-4,8,13H,5-7H2.
What are the key properties of 4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine?
4-(3-chlorophenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 193.68 g/mol, XLogP of 2.72, 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 is sourced from PubChem (CID 10583942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).