1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

C17H30N2O2 — CID 107217072

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC2CCCCC2N1)N1CCCC(CCO)C1
InChIInChI=1S/C17H30N2O2/c20-11-9-13-4-3-10-19(12-13)17(21)16-8-7-14-5-1-2-6-15(14)18-16/h13-16,18,20H,1-12H2
InChIKeyVKXBXICCLLVAQG-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.92
Rot. Bonds3

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 107217072) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID107217072
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC2CCCCC2N1)N1CCCC(CCO)C1
InChIInChI=1S/C17H30N2O2/c20-11-9-13-4-3-10-19(12-13)17(21)16-8-7-14-5-1-2-6-15(14)18-16/h13-16,18,20H,1-12H2
InChIKeyVKXBXICCLLVAQG-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 66468802
[3-(2-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 107227490
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3-hydroxypyrrolidin-1-yl)methanone
CID 66468992
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpiperidin-1-yl)methanone
CID 43584539
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 66469594
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(4-methylazepan-1-yl)methanone
CID 66468793
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114536748
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(3-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 119345006
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 89469188

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 107217072) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(C1CCC2CCCCC2N1)N1CCCC(CCO)C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is VKXBXICCLLVAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-11-9-13-4-3-10-19(12-13)17(21)16-8-7-14-5-1-2-6-15(14)18-16/h13-16,18,20H,1-12H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 294.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-[3-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 107217072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).