1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone

C14H18N2O2 — CID 114500853

IUPAC1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
SMILESCC1CN(C(=O)Cc2ccccc2)CC/C1=N\O
InChIInChI=1S/C14H18N2O2/c1-11-10-16(8-7-13(11)15-18)14(17)9-12-5-3-2-4-6-12/h2-6,11,18H,7-10H2,1H3/b15-13+
InChIKeyGXPHHKXGSCAQGD-FYWRMAATSA-N
MW246.31 g/mol
LogP1.93
Rot. Bonds2

About 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone

1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone (PubChem CID 114500853) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
PubChem CID114500853
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
SMILESCC1CN(C(=O)Cc2ccccc2)CC/C1=N\O
InChIInChI=1S/C14H18N2O2/c1-11-10-16(8-7-13(11)15-18)14(17)9-12-5-3-2-4-6-12/h2-6,11,18H,7-10H2,1H3/b15-13+
InChIKeyGXPHHKXGSCAQGD-FYWRMAATSA-N
XLogP1.93
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.93
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-(2,5-dimethylphenyl)-1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]ethanone
CID 114500701
(2-ethylphenyl)-[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500832
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
(2-chlorophenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500718
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-2-propoxyethanone
CID 107939252
(2-tert-butylphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500883
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126803

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone (CID 114500853) is 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone is CC1CN(C(=O)Cc2ccccc2)CC/C1=N\O.
What is the InChIKey of 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone?
The InChIKey is GXPHHKXGSCAQGD-FYWRMAATSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-10-16(8-7-13(11)15-18)14(17)9-12-5-3-2-4-6-12/h2-6,11,18H,7-10H2,1H3/b15-13+.
What are the key properties of 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone?
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone has a molecular weight of 246.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 114500853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).