2-phenyl-1,2,3,4-tetrahydropyridine

C11H13N — CID 68624541

IUPAC2-phenyl-1,2,3,4-tetrahydropyridine
SMILESC1=CNC(c2ccccc2)CC1
InChIInChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,5-7,9,11-12H,4,8H2
InChIKeyYZPKNSOPJRLKMK-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.62
Rot. Bonds1

About 2-phenyl-1,2,3,4-tetrahydropyridine

2-phenyl-1,2,3,4-tetrahydropyridine (PubChem CID 68624541) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-phenyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-phenyl-1,2,3,4-tetrahydropyridine
PubChem CID68624541
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-phenyl-1,2,3,4-tetrahydropyridine
SMILESC1=CNC(c2ccccc2)CC1
InChIInChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,5-7,9,11-12H,4,8H2
InChIKeyYZPKNSOPJRLKMK-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-phenyl-1,2,3,4-tetrahydropyridine (CID 68624541) is 2-phenyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-phenyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-phenyl-1,2,3,4-tetrahydropyridine is C1=CNC(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-1,2,3,4-tetrahydropyridine?
The InChIKey is YZPKNSOPJRLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,5-7,9,11-12H,4,8H2.
What are the key properties of 2-phenyl-1,2,3,4-tetrahydropyridine?
2-phenyl-1,2,3,4-tetrahydropyridine has a molecular weight of 159.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 68624541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).