1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine

C13H17N — CID 141290372

IUPAC1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(c2ccccc2)CN(C)CC1
InChIInChI=1S/C13H17N/c1-11-8-9-14(2)10-13(11)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyOOUPMAUGUYUMPX-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.80
Rot. Bonds1

About 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine

1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 141290372) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine
PubChem CID141290372
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(c2ccccc2)CN(C)CC1
InChIInChI=1S/C13H17N/c1-11-8-9-14(2)10-13(11)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3
InChIKeyOOUPMAUGUYUMPX-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine (CID 141290372) is 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine is CC1=C(c2ccccc2)CN(C)CC1.
What is the InChIKey of 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is OOUPMAUGUYUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-11-8-9-14(2)10-13(11)12-6-4-3-5-7-12/h3-7H,8-10H2,1-2H3.
What are the key properties of 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine?
1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 187.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 141290372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).