1-benzyl-4-methyl-3,4-dihydro-2H-pyridine

C13H17N — CID 59011780

IUPAC1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(Cc2ccccc2)CC1
InChIInChI=1S/C13H17N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-7,9,12H,8,10-11H2,1H3
InChIKeyJLUWHCSNSUASGT-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.04
Rot. Bonds2

About 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine

1-benzyl-4-methyl-3,4-dihydro-2H-pyridine (PubChem CID 59011780) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
PubChem CID59011780
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(Cc2ccccc2)CC1
InChIInChI=1S/C13H17N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-7,9,12H,8,10-11H2,1H3
InChIKeyJLUWHCSNSUASGT-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 152546116
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1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
1-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-(3-methylthiophen-2-yl)ethanone
CID 91292890
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
CID 162060855
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
1-benzyl-N-methylazetidin-2-amine
CID 57429452
1-benzyl-3-methyl-2H-imidazole
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1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine (CID 59011780) is 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine is CC1C=CN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is JLUWHCSNSUASGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13/h2-7,9,12H,8,10-11H2,1H3.
What are the key properties of 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine?
1-benzyl-4-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 187.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 59011780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).