2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine

C12H20N2 — CID 143466930

IUPAC2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine
SMILESCC1=NC=CCC1CN1CCCCC1
InChIInChI=1S/C12H20N2/c1-11-12(6-5-7-13-11)10-14-8-3-2-4-9-14/h5,7,12H,2-4,6,8-10H2,1H3
InChIKeyOHEPYEATWQVNTE-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.47
Rot. Bonds2

About 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine

2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine (PubChem CID 143466930) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine
PubChem CID143466930
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine
SMILESCC1=NC=CCC1CN1CCCCC1
InChIInChI=1S/C12H20N2/c1-11-12(6-5-7-13-11)10-14-8-3-2-4-9-14/h5,7,12H,2-4,6,8-10H2,1H3
InChIKeyOHEPYEATWQVNTE-UHFFFAOYSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(3H-pyrrol-2-yl)piperidine
CID 58108227
4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 59176366
4-(4-Methylpiperidin-1-yl)-3,4-dihydropyridine
CID 66805449
2-methyl-3,4,4a,8a-tetrahydro-1H-2,7-naphthyridine
CID 89554216
1-(2,4-Dimethyl-3,4-dihydropyridin-5-yl)-4-methylpiperazine
CID 123287693
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
CID 139538966
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
CID 142003257
2-(1-Methylpiperidin-2-yl)-3,4-dihydropyridine
CID 142975345
ethane;(1Z)-3-(4-methylpiperidin-1-ium-1-ylidene)penta-1,4-dien-1-amine
CID 143046166
2-(Piperidin-1-ylmethyl)-3,4-dihydropyridine
CID 144046070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine?
The IUPAC name of 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine (CID 143466930) is 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine is CC1=NC=CCC1CN1CCCCC1.
What is the InChIKey of 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine?
The InChIKey is OHEPYEATWQVNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-12(6-5-7-13-11)10-14-8-3-2-4-9-14/h5,7,12H,2-4,6,8-10H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine?
2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine has a molecular weight of 192.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-1-ylmethyl)-3,4-dihydropyridine is sourced from PubChem (CID 143466930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).