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

C16H22N2O2 — CID 114500732

IUPAC[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)C)cc2)CC/C1=N/O
InChIInChI=1S/C16H22N2O2/c1-11(2)13-4-6-14(7-5-13)16(19)18-9-8-15(17-20)12(3)10-18/h4-7,11-12,20H,8-10H2,1-3H3/b17-15-
InChIKeyDVPHGTZSZDZABU-ICFOKQHNSA-N
MW274.36 g/mol
LogP3.12
Rot. Bonds2

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

[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 114500732) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID114500732
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC1CN(C(=O)c2ccc(C(C)C)cc2)CC/C1=N/O
InChIInChI=1S/C16H22N2O2/c1-11(2)13-4-6-14(7-5-13)16(19)18-9-8-15(17-20)12(3)10-18/h4-7,11-12,20H,8-10H2,1-3H3/b17-15-
InChIKeyDVPHGTZSZDZABU-ICFOKQHNSA-N
XLogP3.12
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.12
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

[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447
(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500729
(4-hydroxyiminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 24707311
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
2,3-dihydro-1H-inden-5-yl-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500815
(2-chlorophenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500718
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 114500887
(5-bromothiophen-3-yl)-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 107962412
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 114500681
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 114500880

Frequently Asked Questions

What is the IUPAC name of [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone (CID 114500732) is [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone is CC1CN(C(=O)c2ccc(C(C)C)cc2)CC/C1=N/O.
What is the InChIKey of [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is DVPHGTZSZDZABU-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(2)13-4-6-14(7-5-13)16(19)18-9-8-15(17-20)12(3)10-18/h4-7,11-12,20H,8-10H2,1-3H3/b17-15-.
What are the key properties of [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone?
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 274.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 114500732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).