6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 82255709

IUPAC6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C)CN(CCc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)13-20(12-14)9-7-16-5-6-18-17(11-16)4-3-8-19-18/h5-6,11,14-15,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyFSHGNHWVCJKAOG-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.57
Rot. Bonds3

About 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline

6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 82255709) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
PubChem CID82255709
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C)CN(CCc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)13-20(12-14)9-7-16-5-6-18-17(11-16)4-3-8-19-18/h5-6,11,14-15,19H,3-4,7-10,12-13H2,1-2H3
InChIKeyFSHGNHWVCJKAOG-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]piperidine-4-carboxylic acid
CID 82255711
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
1-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 82255755
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline (CID 82255709) is 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline is CC1CC(C)CN(CCc2ccc3c(c2)CCCN3)C1.
What is the InChIKey of 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is FSHGNHWVCJKAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-10-15(2)13-20(12-14)9-7-16-5-6-18-17(11-16)4-3-8-19-18/h5-6,11,14-15,19H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline?
6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82255709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).