[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C17H22N2O2 — CID 107126803

IUPAC[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCC1CN(C(=O)C2CCc3ccccc3C2)CC/C1=N\O
InChIInChI=1S/C17H22N2O2/c1-12-11-19(9-8-16(12)18-21)17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,21H,6-11H2,1H3/b18-16+
InChIKeyVGPRFVCDYQPAOU-FBMGVBCBSA-N
MW286.37 g/mol
LogP2.49
Rot. Bonds1

About [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 107126803) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID107126803
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCC1CN(C(=O)C2CCc3ccccc3C2)CC/C1=N\O
InChIInChI=1S/C17H22N2O2/c1-12-11-19(9-8-16(12)18-21)17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,21H,6-11H2,1H3/b18-16+
InChIKeyVGPRFVCDYQPAOU-FBMGVBCBSA-N
XLogP2.49
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-2-yl-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 106892974
[(3R)-3-methylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126386
[(3R)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127292
[3-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107125909
[3-(bromomethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127697
7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 104930843
(3-ethyl-3-hydroxyazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107127094
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
2,3-dihydro-1H-inden-5-yl-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500815
(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500832
(4-hydroxyimino-3-methylpiperidin-1-yl)-(thian-2-yl)methanone
CID 104930782
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447

Frequently Asked Questions

What is the IUPAC name of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 107126803) is [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is CC1CN(C(=O)C2CCc3ccccc3C2)CC/C1=N\O.
What is the InChIKey of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is VGPRFVCDYQPAOU-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-11-19(9-8-16(12)18-21)17(20)15-7-6-13-4-2-3-5-14(13)10-15/h2-5,12,15,21H,6-11H2,1H3/b18-16+.
What are the key properties of [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 286.37 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 107126803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).