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

C18H19N — CID 12542628

IUPAC4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccccc2Cc2ccccc2)CCNC1
InChIInChI=1S/C18H19N/c1-2-6-15(7-3-1)14-17-8-4-5-9-18(17)16-10-12-19-13-11-16/h1-10,19H,11-14H2
InChIKeyKQOOIOMOHDWOOP-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.65
Rot. Bonds3

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

4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 12542628) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID12542628
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(c2ccccc2Cc2ccccc2)CCNC1
InChIInChI=1S/C18H19N/c1-2-6-15(7-3-1)14-17-8-4-5-9-18(17)16-10-12-19-13-11-16/h1-10,19H,11-14H2
InChIKeyKQOOIOMOHDWOOP-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine (CID 12542628) is 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine is C1=C(c2ccccc2Cc2ccccc2)CCNC1.
What is the InChIKey of 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KQOOIOMOHDWOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-6-15(7-3-1)14-17-8-4-5-9-18(17)16-10-12-19-13-11-16/h1-10,19H,11-14H2.
What are the key properties of 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine?
4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 249.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 12542628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).