3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine

C17H24N2 — CID 118548942

IUPAC3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine
SMILESCC1=CC(C2C=CC(N3CCCCC3)=CC2)=CNC1
InChIInChI=1S/C17H24N2/c1-14-11-16(13-18-12-14)15-5-7-17(8-6-15)19-9-3-2-4-10-19/h5,7-8,11,13,15,18H,2-4,6,9-10,12H2,1H3
InChIKeyLPPQEEMDDPEJGJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.37
Rot. Bonds2

About 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine

3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine (PubChem CID 118548942) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine
PubChem CID118548942
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine
SMILESCC1=CC(C2C=CC(N3CCCCC3)=CC2)=CNC1
InChIInChI=1S/C17H24N2/c1-14-11-16(13-18-12-14)15-5-7-17(8-6-15)19-9-3-2-4-10-19/h5,7-8,11,13,15,18H,2-4,6,9-10,12H2,1H3
InChIKeyLPPQEEMDDPEJGJ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine?
The IUPAC name of 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine (CID 118548942) is 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine.
What is the SMILES notation for 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine?
The canonical SMILES for 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine is CC1=CC(C2C=CC(N3CCCCC3)=CC2)=CNC1.
What is the InChIKey of 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine?
The InChIKey is LPPQEEMDDPEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-14-11-16(13-18-12-14)15-5-7-17(8-6-15)19-9-3-2-4-10-19/h5,7-8,11,13,15,18H,2-4,6,9-10,12H2,1H3.
What are the key properties of 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine?
3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine has a molecular weight of 256.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-piperidin-1-ylcyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine is sourced from PubChem (CID 118548942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).