5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine

C12H20N2 — CID 91459524

IUPAC5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
SMILESCC1=CC(CC2CCNCC2)CN=C1
InChIInChI=1S/C12H20N2/c1-10-6-12(9-14-8-10)7-11-2-4-13-5-3-11/h6,8,11-13H,2-5,7,9H2,1H3
InChIKeyWSYPHDGYMGIPAV-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.02
Rot. Bonds2

About 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine

5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine (PubChem CID 91459524) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
PubChem CID91459524
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
SMILESCC1=CC(CC2CCNCC2)CN=C1
InChIInChI=1S/C12H20N2/c1-10-6-12(9-14-8-10)7-11-2-4-13-5-3-11/h6,8,11-13H,2-5,7,9H2,1H3
InChIKeyWSYPHDGYMGIPAV-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3,7-Dimethyloct-6-enylidene)piperazin-1-ium
CID 176435148
6-Methyl-3-piperidin-4-yl-3,4-dihydropyridine
CID 69355119
(2-ethyl-3,4,8,8a-tetrahydro-1H-isoquinolin-6-yl)methanimine
CID 89514112
1,2,3,4,4a,5-Hexahydro-2,6-naphthyridine
CID 90698342
4-(2,3-Dimethyl-2,3-dihydropyrrol-4-ylidene)piperidine
CID 90762439
2-Methoxy-5-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91022622
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(E)-N-methyl-6-methylimino-4-propan-2-ylhex-4-en-1-amine
CID 123193034
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
2-ethenyl-N-(piperidin-4-ylmethyl)hexa-2,4-dien-1-imine
CID 123822692
2-Methyl-5-piperidin-4-yl-2,3-dihydropyridine
CID 123831605
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The IUPAC name of 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine (CID 91459524) is 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine is CC1=CC(CC2CCNCC2)CN=C1.
What is the InChIKey of 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The InChIKey is WSYPHDGYMGIPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-6-12(9-14-8-10)7-11-2-4-13-5-3-11/h6,8,11-13H,2-5,7,9H2,1H3.
What are the key properties of 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine has a molecular weight of 192.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 91459524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).