(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone

C15H20N2O2 — CID 61435167

IUPAC(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESO=C(C1CCc2ccccc2N1)N1CCCC(O)C1
InChIInChI=1S/C15H20N2O2/c18-12-5-3-9-17(10-12)15(19)14-8-7-11-4-1-2-6-13(11)16-14/h1-2,4,6,12,14,16,18H,3,5,7-10H2
InChIKeyBUPOMLCAUSEVJN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.40
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone

(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone (PubChem CID 61435167) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
PubChem CID61435167
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
SMILESO=C(C1CCc2ccccc2N1)N1CCCC(O)C1
InChIInChI=1S/C15H20N2O2/c18-12-5-3-9-17(10-12)15(19)14-8-7-11-4-1-2-6-13(11)16-14/h1-2,4,6,12,14,16,18H,3,5,7-10H2
InChIKeyBUPOMLCAUSEVJN-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone (CID 61435167) is (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone is O=C(C1CCc2ccccc2N1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
The InChIKey is BUPOMLCAUSEVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-12-5-3-9-17(10-12)15(19)14-8-7-11-4-1-2-6-13(11)16-14/h1-2,4,6,12,14,16,18H,3,5,7-10H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone?
(3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone has a molecular weight of 260.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone is sourced from PubChem (CID 61435167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).