2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol

C14H20N2O3 — CID 81134999

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CCC(=NO)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-13-4-2-3-11(9-13)14(17)10-16-7-5-12(15-18)6-8-16/h2-4,9,14,17-18H,5-8,10H2,1H3
InChIKeyPUSGVQFKVHXHGT-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol

2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol (PubChem CID 81134999) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
PubChem CID81134999
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CN2CCC(=NO)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-13-4-2-3-11(9-13)14(17)10-16-7-5-12(15-18)6-8-16/h2-4,9,14,17-18H,5-8,10H2,1H3
InChIKeyPUSGVQFKVHXHGT-UHFFFAOYSA-N
XLogP1.65
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 112706792
2-(1,3-dihydroisoindol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 62231335
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
1-(3-methoxyphenyl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethanol
CID 78966951
2-(2-ethylthiomorpholin-4-yl)-1-(3-methoxyphenyl)ethanol
CID 115666571
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
2-[4-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CID 15592159
2-[4-(4-fluorophenoxy)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 111381841
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
4-(2-fluorophenyl)-1-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 51501596

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol (CID 81134999) is 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CN2CCC(=NO)CC2)c1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is PUSGVQFKVHXHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-4-2-3-11(9-13)14(17)10-16-7-5-12(15-18)6-8-16/h2-4,9,14,17-18H,5-8,10H2,1H3.
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol?
2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 264.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).