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

C18H31NO2 — CID 109480175

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCCN(C(=O)C2CCC3CCCCC3C2)C1
InChIInChI=1S/C18H31NO2/c1-13(20)17-7-4-10-19(12-17)18(21)16-9-8-14-5-2-3-6-15(14)11-16/h13-17,20H,2-12H2,1H3
InChIKeyINNYGKRKHKANJS-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.21
Rot. Bonds2

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 109480175) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID109480175
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCCN(C(=O)C2CCC3CCCCC3C2)C1
InChIInChI=1S/C18H31NO2/c1-13(20)17-7-4-10-19(12-17)18(21)16-9-8-14-5-2-3-6-15(14)11-16/h13-17,20H,2-12H2,1H3
InChIKeyINNYGKRKHKANJS-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclooctyl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627515
[3-(1-hydroxyethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 121201689
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
[(2S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11890050
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 75432919
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406843
[3-(aminomethyl)cyclohexyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629313
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(aminomethyl)-4-methylpiperidin-1-yl]methanone
CID 114960256
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 109480175) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCCN(C(=O)C2CCC3CCCCC3C2)C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is INNYGKRKHKANJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13(20)17-7-4-10-19(12-17)18(21)16-9-8-14-5-2-3-6-15(14)11-16/h13-17,20H,2-12H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 293.45 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-[3-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 109480175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).