(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone

C13H15ClN2O3 — CID 114500729

IUPAC(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(O)c(Cl)c2)CC/C1=N\O
InChIInChI=1S/C13H15ClN2O3/c1-8-7-16(5-4-11(8)15-19)13(18)9-2-3-12(17)10(14)6-9/h2-3,6,8,17,19H,4-5,7H2,1H3/b15-11+
InChIKeyFWBPLTQOPZJBKD-RVDMUPIBSA-N
MW282.73 g/mol
LogP2.36
Rot. Bonds1

About (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone

(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone (PubChem CID 114500729) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
PubChem CID114500729
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
SMILESCC1CN(C(=O)c2ccc(O)c(Cl)c2)CC/C1=N\O
InChIInChI=1S/C13H15ClN2O3/c1-8-7-16(5-4-11(8)15-19)13(18)9-2-3-12(17)10(14)6-9/h2-3,6,8,17,19H,4-5,7H2,1H3/b15-11+
InChIKeyFWBPLTQOPZJBKD-RVDMUPIBSA-N
XLogP2.36
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3,4-dihydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 107728447
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 114500880
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 114500887
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-naphthalen-2-ylmethanone
CID 114500719
2,3-dihydro-1H-inden-5-yl-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500815
[(4Z)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 114500732
(2-chlorophenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone
CID 114500718
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 114500681
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107671537
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
(5-bromothiophen-3-yl)-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 107962412
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone (CID 114500729) is (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone is CC1CN(C(=O)c2ccc(O)c(Cl)c2)CC/C1=N\O.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
The InChIKey is FWBPLTQOPZJBKD-RVDMUPIBSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8-7-16(5-4-11(8)15-19)13(18)9-2-3-12(17)10(14)6-9/h2-3,6,8,17,19H,4-5,7H2,1H3/b15-11+.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone?
(3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone has a molecular weight of 282.73 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 114500729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).