2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine

C15H26N2 — CID 91259364

IUPAC2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine
SMILESCCC1C=CC(CN2CCC(C)CC2)=CN1C
InChIInChI=1S/C15H26N2/c1-4-15-6-5-14(11-16(15)3)12-17-9-7-13(2)8-10-17/h5-6,11,13,15H,4,7-10,12H2,1-3H3
InChIKeyCAADPYNGISUBFH-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.88
Rot. Bonds3

About 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine

2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine (PubChem CID 91259364) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine.

Molecular Properties

Compound Name2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine
PubChem CID91259364
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine
SMILESCCC1C=CC(CN2CCC(C)CC2)=CN1C
InChIInChI=1S/C15H26N2/c1-4-15-6-5-14(11-16(15)3)12-17-9-7-13(2)8-10-17/h5-6,11,13,15H,4,7-10,12H2,1-3H3
InChIKeyCAADPYNGISUBFH-UHFFFAOYSA-N
XLogP2.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-(6-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485229
2-methyl-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 68536267
n-Allyltetrahydroisoquinoline
CID 69120546
2-Ethyltetrahydroisoquinoline
CID 129739616
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
4-(4-Fluorocyclohexa-1,5-dien-1-yl)-1-methylpiperidine
CID 134365678
4-Fluoro-1-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)piperidine
CID 134376304
1-[(2S,3Z)-3-(1-fluoroethenyl)hexa-3,5-dien-2-yl]-3-methyl-5-methylidenepiperidine
CID 143143754
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-prop-2-enylpiperidine
CID 173171802
1-Ethyl-4-(2-fluorocyclohexa-1,5-dien-1-yl)piperidine
CID 173171947
1-(2-Fluoro-3,6-dimethylcyclohexa-1,5-dien-1-yl)piperidine
CID 176552867

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine?
The IUPAC name of 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine (CID 91259364) is 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine.
What is the SMILES notation for 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine?
The canonical SMILES for 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine is CCC1C=CC(CN2CCC(C)CC2)=CN1C.
What is the InChIKey of 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine?
The InChIKey is CAADPYNGISUBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-15-6-5-14(11-16(15)3)12-17-9-7-13(2)8-10-17/h5-6,11,13,15H,4,7-10,12H2,1-3H3.
What are the key properties of 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine?
2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine has a molecular weight of 234.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-5-[(4-methylpiperidin-1-yl)methyl]-2H-pyridine is sourced from PubChem (CID 91259364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).