2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

C18H26N2O — CID 82256338

IUPAC2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCC1CCCCN1C(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C18H26N2O/c1-13-6-3-4-11-20(13)14(2)18(21)16-8-9-17-15(12-16)7-5-10-19-17/h8-9,12-14,19H,3-7,10-11H2,1-2H3
InChIKeyGWFUSMVIIQTQTQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.49
Rot. Bonds3

About 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one

2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (PubChem CID 82256338) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
PubChem CID82256338
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
SMILESCC1CCCCN1C(C)C(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C18H26N2O/c1-13-6-3-4-11-20(13)14(2)18(21)16-8-9-17-15(12-16)7-5-10-19-17/h8-9,12-14,19H,3-7,10-11H2,1-2H3
InChIKeyGWFUSMVIIQTQTQ-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one (CID 82256338) is 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is CC1CCCCN1C(C)C(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
The InChIKey is GWFUSMVIIQTQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-6-3-4-11-20(13)14(2)18(21)16-8-9-17-15(12-16)7-5-10-19-17/h8-9,12-14,19H,3-7,10-11H2,1-2H3.
What are the key properties of 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one?
2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one is sourced from PubChem (CID 82256338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).