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

C17H23NO2 — CID 80706477

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CCCc3ccccc32)CC1
InChIInChI=1S/C17H23NO2/c1-17(20)9-11-18(12-10-17)16(19)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,15,20H,4,6,8-12H2,1H3
InChIKeySADJIAYYJRYFQS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.48
Rot. Bonds1

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

(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 80706477) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID80706477
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCC1(O)CCN(C(=O)C2CCCc3ccccc32)CC1
InChIInChI=1S/C17H23NO2/c1-17(20)9-11-18(12-10-17)16(19)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,15,20H,4,6,8-12H2,1H3
InChIKeySADJIAYYJRYFQS-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 139029214
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 94416624
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperidine-4-carbonitrile
CID 49062477
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
[(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-aminoazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63755635

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 80706477) is (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is CC1(O)CCN(C(=O)C2CCCc3ccccc32)CC1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is SADJIAYYJRYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(20)9-11-18(12-10-17)16(19)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,15,20H,4,6,8-12H2,1H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 80706477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).