[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

C17H24N2O2 — CID 106836042

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H24N2O2/c1-12(20)13-7-10-19(11-8-13)17(21)15-6-2-4-14-5-3-9-18-16(14)15/h2,4,6,12-13,18,20H,3,5,7-11H2,1H3
InChIKeyFGCKZXHVMQINDK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.28
Rot. Bonds2

About [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (PubChem CID 106836042) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
PubChem CID106836042
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2cccc3c2NCCC3)CC1
InChIInChI=1S/C17H24N2O2/c1-12(20)13-7-10-19(11-8-13)17(21)15-6-2-4-14-5-3-9-18-16(14)15/h2,4,6,12-13,18,20H,3,5,7-11H2,1H3
InChIKeyFGCKZXHVMQINDK-UHFFFAOYSA-N
XLogP2.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213645
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 114797753
[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 133112239
(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348
3-ethyl-4-(1,2,3,4-tetrahydroquinoline-8-carbonyl)piperazin-2-one
CID 63603518
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62214013
1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155508588
(3aS,6aR)-5-ethyl-6-oxo-2-(1,2,3,4-tetrahydroquinoline-8-carbonyl)-1,3,4,6a-tetrahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133133742
(2-amino-3-methoxyphenyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835115

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (CID 106836042) is [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is CC(O)C1CCN(C(=O)c2cccc3c2NCCC3)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The InChIKey is FGCKZXHVMQINDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(20)13-7-10-19(11-8-13)17(21)15-6-2-4-14-5-3-9-18-16(14)15/h2,4,6,12-13,18,20H,3,5,7-11H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 106836042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).