6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C17H26N2 — CID 43584640

IUPAC6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCN(Cc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C17H26N2/c1-2-14-5-4-10-19(12-14)13-15-7-8-17-16(11-15)6-3-9-18-17/h7-8,11,14,18H,2-6,9-10,12-13H2,1H3
InChIKeyHVFQHRJOVYFPRY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.67
Rot. Bonds3

About 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 43584640) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID43584640
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCCC1CCCN(Cc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C17H26N2/c1-2-14-5-4-10-19(12-14)13-15-7-8-17-16(11-15)6-3-9-18-17/h7-8,11,14,18H,2-6,9-10,12-13H2,1H3
InChIKeyHVFQHRJOVYFPRY-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
4-[(3-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 43584622
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
2-chloro-4-[(3-ethylpiperidin-1-yl)methyl]pyridine
CID 62305973
3-(2,3-dihydro-1H-indol-5-ylmethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165389
6-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 79930298
6-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114172453
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219

Frequently Asked Questions

What is the IUPAC name of 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 43584640) is 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CCC1CCCN(Cc2ccc3c(c2)CCCN3)C1.
What is the InChIKey of 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is HVFQHRJOVYFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-14-5-4-10-19(12-14)13-15-7-8-17-16(11-15)6-3-9-18-17/h7-8,11,14,18H,2-6,9-10,12-13H2,1H3.
What are the key properties of 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 258.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 43584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).