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

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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).