5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 114593803

IUPAC5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C)C(C)N(Cc2cccc3c2CCCN3)C1
InChIInChI=1S/C18H28N2/c1-13-10-14(2)15(3)20(11-13)12-16-6-4-8-18-17(16)7-5-9-19-18/h4,6,8,13-15,19H,5,7,9-12H2,1-3H3
InChIKeyWIYSLKRDBLMPRQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.91
Rot. Bonds2

About 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline

5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 114593803) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID114593803
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(C)C(C)N(Cc2cccc3c2CCCN3)C1
InChIInChI=1S/C18H28N2/c1-13-10-14(2)15(3)20(11-13)12-16-6-4-8-18-17(16)7-5-9-19-18/h4,6,8,13-15,19H,5,7,9-12H2,1-3H3
InChIKeyWIYSLKRDBLMPRQ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzonitrile
CID 103275030
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pyridine-2-carbonitrile
CID 114593285
5-(2-phenylethyl)-1,2,3,4-tetrahydroquinoline
CID 106777836
N-ethyl-2-[2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]ethanamine
CID 114597126
3-methyl-4-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597360
5-(4-methylpiperidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 104773704
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971
2-fluoro-N'-hydroxy-3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 107117498
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115103996
2,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-5-ylmethyl)butan-1-amine
CID 103462222
2,6-dimethyl-4-(1,2,3,4-tetrahydroquinolin-5-yl)morpholine
CID 81215266

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline (CID 114593803) is 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is CC1CC(C)C(C)N(Cc2cccc3c2CCCN3)C1.
What is the InChIKey of 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is WIYSLKRDBLMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13-10-14(2)15(3)20(11-13)12-16-6-4-8-18-17(16)7-5-9-19-18/h4,6,8,13-15,19H,5,7,9-12H2,1-3H3.
What are the key properties of 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline?
5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5-trimethylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 114593803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).