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

C12H20N2 — CID 91582344

IUPAC6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
SMILESCC1=NCC(CC2CCNCC2)C=C1
InChIInChI=1S/C12H20N2/c1-10-2-3-12(9-14-10)8-11-4-6-13-7-5-11/h2-3,11-13H,4-9H2,1H3
InChIKeyBTVQWYFKWLOFAY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.02
Rot. Bonds2

About 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine

6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine (PubChem CID 91582344) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
PubChem CID91582344
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
SMILESCC1=NCC(CC2CCNCC2)C=C1
InChIInChI=1S/C12H20N2/c1-10-2-3-12(9-14-10)8-11-4-6-13-7-5-11/h2-3,11-13H,4-9H2,1H3
InChIKeyBTVQWYFKWLOFAY-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 6-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

(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
CID 123991439
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
2-Cyclopentyl-6-piperidin-3-yl-2,3-dihydropyridine
CID 66612629
7,8a-dimethyl-2,3,4,4a-tetrahydro-1H-1,8-naphthyridine
CID 67562135
2,3,4,4a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 68572676
2-Piperidin-4-yl-1,2,3,6-tetrahydropyridine
CID 69526449
4-Ethylcyclohexene;piperidine
CID 70380759
(1R)-2-methyl-N-[(2S)-3-piperidin-4-ylbutan-2-yl]cyclohex-3-en-1-amine
CID 71219450
2,4a,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 90707339
3-methyl-2-[(1Z)-penta-1,3,4-trienyl]-3a,4,5,6,7,7a-hexahydro-3H-pyrrolo[2,3-c]pyridine
CID 90746808

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The IUPAC name of 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine (CID 91582344) is 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine is CC1=NCC(CC2CCNCC2)C=C1.
What is the InChIKey of 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
The InChIKey is BTVQWYFKWLOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10-2-3-12(9-14-10)8-11-4-6-13-7-5-11/h2-3,11-13H,4-9H2,1H3.
What are the key properties of 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine?
6-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 6-methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine is sourced from PubChem (CID 91582344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).