4-(4-methylphenyl)-3,4-dihydropyridine

C12H13N — CID 89391273

IUPAC4-(4-methylphenyl)-3,4-dihydropyridine
SMILESCc1ccc(C2C=CN=CC2)cc1
InChIInChI=1S/C12H13N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-6,8-9,12H,7H2,1H3
InChIKeyXZZSOOBPNDYLCQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.07
Rot. Bonds1

About 4-(4-methylphenyl)-3,4-dihydropyridine

4-(4-methylphenyl)-3,4-dihydropyridine (PubChem CID 89391273) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(4-methylphenyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(4-methylphenyl)-3,4-dihydropyridine
PubChem CID89391273
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name4-(4-methylphenyl)-3,4-dihydropyridine
SMILESCc1ccc(C2C=CN=CC2)cc1
InChIInChI=1S/C12H13N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-6,8-9,12H,7H2,1H3
InChIKeyXZZSOOBPNDYLCQ-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-(5-methylthiophen-3-yl)-3,4-dihydropyridine
CID 142094444
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 15269792
1-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
CID 23561398
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
CID 155107146
2-[7-[4-(3,4-dihydropyridin-4-yl)phenyl]-9,9-diphenylfluoren-2-yl]-3-[9,9-diphenyl-7-(4-pyridin-4-ylphenyl)fluoren-2-yl]quinoxaline
CID 89177766
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
5-methyl-2-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
CID 89032198
1-(1-deuteriocyclohexyl)-4-methylbenzene
CID 140825549
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
2-(4-methylphenyl)thiirane
CID 12013872
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-3,4-dihydropyridine?
The IUPAC name of 4-(4-methylphenyl)-3,4-dihydropyridine (CID 89391273) is 4-(4-methylphenyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(4-methylphenyl)-3,4-dihydropyridine?
The canonical SMILES for 4-(4-methylphenyl)-3,4-dihydropyridine is Cc1ccc(C2C=CN=CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-3,4-dihydropyridine?
The InChIKey is XZZSOOBPNDYLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-10-2-4-11(5-3-10)12-6-8-13-9-7-12/h2-6,8-9,12H,7H2,1H3.
What are the key properties of 4-(4-methylphenyl)-3,4-dihydropyridine?
4-(4-methylphenyl)-3,4-dihydropyridine has a molecular weight of 171.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-3,4-dihydropyridine is sourced from PubChem (CID 89391273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).