(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone

C15H20N2O2 — CID 114500832

IUPAC(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
SMILESCCc1ccccc1C(=O)N1CC/C(=N/O)C(C)C1
InChIInChI=1S/C15H20N2O2/c1-3-12-6-4-5-7-13(12)15(18)17-9-8-14(16-19)11(2)10-17/h4-7,11,19H,3,8-10H2,1-2H3/b16-14-
InChIKeyBOBGMORVICCGQA-PEZBUJJGSA-N
MW260.34 g/mol
LogP2.56
Rot. Bonds2

About (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone

(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone (PubChem CID 114500832) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
PubChem CID114500832
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
SMILESCCc1ccccc1C(=O)N1CC/C(=N/O)C(C)C1
InChIInChI=1S/C15H20N2O2/c1-3-12-6-4-5-7-13(12)15(18)17-9-8-14(16-19)11(2)10-17/h4-7,11,19H,3,8-10H2,1-2H3/b16-14-
InChIKeyBOBGMORVICCGQA-PEZBUJJGSA-N
XLogP2.56
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.56
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'}

Analyze (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500718
(2-tert-butylphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500883
(3-bromo-2-chlorophenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500845
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107671537
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 114500887
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(2-ethylphenyl)methanone
CID 56887256
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 114500681
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 114500890
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431

Frequently Asked Questions

What is the IUPAC name of (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone (CID 114500832) is (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone is CCc1ccccc1C(=O)N1CC/C(=N/O)C(C)C1.
What is the InChIKey of (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
The InChIKey is BOBGMORVICCGQA-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-12-6-4-5-7-13(12)15(18)17-9-8-14(16-19)11(2)10-17/h4-7,11,19H,3,8-10H2,1-2H3/b16-14-.
What are the key properties of (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 114500832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).