(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C17H23NO2 — CID 114501421

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCc3ccccc32)CCC1O
InChIInChI=1S/C17H23NO2/c1-12-11-18(10-9-16(12)19)17(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-16,19H,4,6,8-11H2,1H3
InChIKeyWEZUJUVAJXCLLE-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.34
Rot. Bonds1

About (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 114501421) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID114501421
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCc3ccccc32)CCC1O
InChIInChI=1S/C17H23NO2/c1-12-11-18(10-9-16(12)19)17(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-16,19H,4,6,8-11H2,1H3
InChIKeyWEZUJUVAJXCLLE-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 114678463
[(3S)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119934524
(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 81450521
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
CID 49062477
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55619980
(3-aminoazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63755635
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95157079
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95580633

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 114501421) is (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CC1CN(C(=O)C2CCCc3ccccc32)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is WEZUJUVAJXCLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-11-18(10-9-16(12)19)17(20)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,12,15-16,19H,4,6,8-11H2,1H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 114501421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).