1-methyl-4-phenyl-3,6-dihydro-2H-pyridine

C12H15N — CID 1388

IUPAC1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKeyPLRACCBDVIHHLZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.41
Rot. Bonds1

About 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine

1-methyl-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 1388) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID1388
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-methyl-4-phenyl-3,6-dihydro-2H-pyridine
SMILESCN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKeyPLRACCBDVIHHLZ-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine (CID 1388) is 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is PLRACCBDVIHHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3.
What are the key properties of 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine?
1-methyl-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 173.26 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 1388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).