(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone

C17H20N2O2 — CID 114509956

IUPAC(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
SMILESCCC1CN(C(=O)c2cccc3ncccc23)CCC1O
InChIInChI=1S/C17H20N2O2/c1-2-12-11-19(10-8-16(12)20)17(21)14-5-3-7-15-13(14)6-4-9-18-15/h3-7,9,12,16,20H,2,8,10-11H2,1H3
InChIKeyAFWGVRFCHGBOOG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.47
Rot. Bonds2

About (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone

(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone (PubChem CID 114509956) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
PubChem CID114509956
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
SMILESCCC1CN(C(=O)c2cccc3ncccc23)CCC1O
InChIInChI=1S/C17H20N2O2/c1-2-12-11-19(10-8-16(12)20)17(21)14-5-3-7-15-13(14)6-4-9-18-15/h3-7,9,12,16,20H,2,8,10-11H2,1H3
InChIKeyAFWGVRFCHGBOOG-UHFFFAOYSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
CID 79992741
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
(3-bromo-4-methylpiperidin-1-yl)-quinolin-4-ylmethanone
CID 102962196
(3R,4S)-3-benzyl-4-hydroxy-1-(quinoline-5-carbonyl)piperidine-3-carboxylic acid
CID 164696101
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 128990609
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
[4-(4-chlorophenoxy)piperidin-1-yl]-quinolin-5-ylmethanone
CID 67169614
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone?
The IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone (CID 114509956) is (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone is CCC1CN(C(=O)c2cccc3ncccc23)CCC1O.
What is the InChIKey of (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone?
The InChIKey is AFWGVRFCHGBOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-12-11-19(10-8-16(12)20)17(21)14-5-3-7-15-13(14)6-4-9-18-15/h3-7,9,12,16,20H,2,8,10-11H2,1H3.
What are the key properties of (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone?
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone has a molecular weight of 284.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 114509956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).