1,6-dibenzyl-3,6-dihydro-2H-pyridine

C19H21N — CID 11196325

IUPAC1,6-dibenzyl-3,6-dihydro-2H-pyridine
SMILESC1=CC(Cc2ccccc2)N(Cc2ccccc2)CC1
InChIInChI=1S/C19H21N/c1-3-9-17(10-4-1)15-19-13-7-8-14-20(19)16-18-11-5-2-6-12-18/h1-7,9-13,19H,8,14-16H2
InChIKeyFUHWHUVMOXKZPA-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.06
Rot. Bonds4

About 1,6-dibenzyl-3,6-dihydro-2H-pyridine

1,6-dibenzyl-3,6-dihydro-2H-pyridine (PubChem CID 11196325) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,6-dibenzyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,6-dibenzyl-3,6-dihydro-2H-pyridine
PubChem CID11196325
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1,6-dibenzyl-3,6-dihydro-2H-pyridine
SMILESC1=CC(Cc2ccccc2)N(Cc2ccccc2)CC1
InChIInChI=1S/C19H21N/c1-3-9-17(10-4-1)15-19-13-7-8-14-20(19)16-18-11-5-2-6-12-18/h1-7,9-13,19H,8,14-16H2
InChIKeyFUHWHUVMOXKZPA-UHFFFAOYSA-N
XLogP4.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 22393845
methyl 3-[[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate
CID 82358789
(3aR,7aR)-1,5-dibenzyl-2,3,3a,4,5,6,7,7a-octahydroindole
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(1,4-dibenzylpiperazin-2-yl)methanol
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(2R)-1,4-dibenzyl-2-(fluoromethyl)piperazine
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1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
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(3aR,6aS)-1-benzyl-6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
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1-benzyl-N-methylazetidin-2-amine
CID 57429452
(1S,4S)-2-benzyl-2-azabicyclo[2.2.1]hept-5-ene
CID 7018984
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385

Frequently Asked Questions

What is the IUPAC name of 1,6-dibenzyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,6-dibenzyl-3,6-dihydro-2H-pyridine (CID 11196325) is 1,6-dibenzyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,6-dibenzyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,6-dibenzyl-3,6-dihydro-2H-pyridine is C1=CC(Cc2ccccc2)N(Cc2ccccc2)CC1.
What is the InChIKey of 1,6-dibenzyl-3,6-dihydro-2H-pyridine?
The InChIKey is FUHWHUVMOXKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-3-9-17(10-4-1)15-19-13-7-8-14-20(19)16-18-11-5-2-6-12-18/h1-7,9-13,19H,8,14-16H2.
What are the key properties of 1,6-dibenzyl-3,6-dihydro-2H-pyridine?
1,6-dibenzyl-3,6-dihydro-2H-pyridine has a molecular weight of 263.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibenzyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11196325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).