4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine

C13H17N — CID 53434523

IUPAC4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(C)cc(C2=CCNCC2)c1
InChIInChI=1S/C13H17N/c1-10-7-11(2)9-13(8-10)12-3-5-14-6-4-12/h3,7-9,14H,4-6H2,1-2H3
InChIKeyHQZKLAOFUNIYLZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.68
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine

4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 53434523) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID53434523
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine
SMILESCc1cc(C)cc(C2=CCNCC2)c1
InChIInChI=1S/C13H17N/c1-10-7-11(2)9-13(8-10)12-3-5-14-6-4-12/h3,7-9,14H,4-6H2,1-2H3
InChIKeyHQZKLAOFUNIYLZ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Methamphetamine
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Fenfluramine
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Mephentermine
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1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Dexfenfluramine
CID 66265
Levmetamfetamine
CID 36604
Terodiline
CID 23480
(+)-Methamphetamine hydrochloride
CID 66124
N-Methylbenzeneethanamine
CID 11503
N-Benzylphenethylamine
CID 65055
(+)-Fenfluramine hydrochloride
CID 66264
Fenfluramine Hydrochloride
CID 91452

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine (CID 53434523) is 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine is Cc1cc(C)cc(C2=CCNCC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HQZKLAOFUNIYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-7-11(2)9-13(8-10)12-3-5-14-6-4-12/h3,7-9,14H,4-6H2,1-2H3.
What are the key properties of 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine?
4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 187.29 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 53434523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).