1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

C18H26N2O2 — CID 71984603

IUPAC1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1CCc2ccccc2N1CCC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H26N2O2/c1-14-8-9-15-5-2-3-7-17(15)20(14)12-10-18(22)19-11-4-6-16(21)13-19/h2-3,5,7,14,16,21H,4,6,8-13H2,1H3
InChIKeyKJLWTOGXPYDZDQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.20
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one

1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (PubChem CID 71984603) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
PubChem CID71984603
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
SMILESCC1CCc2ccccc2N1CCC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H26N2O2/c1-14-8-9-15-5-2-3-7-17(15)20(14)12-10-18(22)19-11-4-6-16(21)13-19/h2-3,5,7,14,16,21H,4,6,8-13H2,1H3
InChIKeyKJLWTOGXPYDZDQ-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one (CID 71984603) is 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is CC1CCc2ccccc2N1CCC(=O)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
The InChIKey is KJLWTOGXPYDZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-8-9-15-5-2-3-7-17(15)20(14)12-10-18(22)19-11-4-6-16(21)13-19/h2-3,5,7,14,16,21H,4,6,8-13H2,1H3.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one?
1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one is sourced from PubChem (CID 71984603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).