2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine

C19H26N2O — CID 142517378

IUPAC2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine
SMILESCC1(OCCN2CCCCC2)C=CC(c2ccccn2)=CC1
InChIInChI=1S/C19H26N2O/c1-19(22-16-15-21-13-5-2-6-14-21)10-8-17(9-11-19)18-7-3-4-12-20-18/h3-4,7-10,12H,2,5-6,11,13-16H2,1H3
InChIKeyIQVOSOVVMIQIIM-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.69
Rot. Bonds5

About 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine

2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine (PubChem CID 142517378) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine
PubChem CID142517378
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine
SMILESCC1(OCCN2CCCCC2)C=CC(c2ccccn2)=CC1
InChIInChI=1S/C19H26N2O/c1-19(22-16-15-21-13-5-2-6-14-21)10-8-17(9-11-19)18-7-3-4-12-20-18/h3-4,7-10,12H,2,5-6,11,13-16H2,1H3
InChIKeyIQVOSOVVMIQIIM-UHFFFAOYSA-N
XLogP3.69
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
N',N'-dimethyl-N-(1-methyl-4-pyridin-2-ylcyclohexa-2,4-dien-1-yl)ethane-1,2-diamine
CID 142517679
2-[2-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 174733983
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
2-(3-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyridine
CID 163498607
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-(2-piperidin-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one
CID 153373072
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-[(5-pyridin-2-ylthiophen-2-yl)methyl]azepane
CID 18700032
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
pyrrolo[3,2-b]azepine
CID 66934182

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine?
The IUPAC name of 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine (CID 142517378) is 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine.
What is the SMILES notation for 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine?
The canonical SMILES for 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine is CC1(OCCN2CCCCC2)C=CC(c2ccccn2)=CC1.
What is the InChIKey of 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine?
The InChIKey is IQVOSOVVMIQIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-19(22-16-15-21-13-5-2-6-14-21)10-8-17(9-11-19)18-7-3-4-12-20-18/h3-4,7-10,12H,2,5-6,11,13-16H2,1H3.
What are the key properties of 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine?
2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(2-piperidin-1-ylethoxy)cyclohexa-1,5-dien-1-yl]pyridine is sourced from PubChem (CID 142517378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).