(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone

C15H20N2O2 — CID 24707311

IUPAC(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(=NO)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)12-3-5-13(6-4-12)15(18)17-9-7-14(16-19)8-10-17/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKWFZJFIFRYFEBP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.88
Rot. Bonds2

About (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone

(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 24707311) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID24707311
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(=NO)CC2)cc1
InChIInChI=1S/C15H20N2O2/c1-11(2)12-3-5-13(6-4-12)15(18)17-9-7-14(16-19)8-10-17/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKWFZJFIFRYFEBP-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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

(4-bromophenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 24705312
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
4-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051023
(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
CID 24699677
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
phenyl-[4-[(1S)-1-phenylethyl]iminopiperidin-1-yl]methanone
CID 15402478

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 24707311) is (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCC(=NO)CC2)cc1.
What is the InChIKey of (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is KWFZJFIFRYFEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)12-3-5-13(6-4-12)15(18)17-9-7-14(16-19)8-10-17/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone?
(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 24707311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).