(4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate

C15H22N2O6 — CID 89209635

IUPAC(4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate
SMILESO=C(CC1CCN(CCON(O)O)CC1)Oc1ccc(O)cc1
InChIInChI=1S/C15H22N2O6/c18-13-1-3-14(4-2-13)23-15(19)11-12-5-7-16(8-6-12)9-10-22-17(20)21/h1-4,12,18,20-21H,5-11H2
InChIKeyLBJVYKATSFAMRV-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.41
Rot. Bonds7

About (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate

(4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate (PubChem CID 89209635) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate
PubChem CID89209635
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Name(4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate
SMILESO=C(CC1CCN(CCON(O)O)CC1)Oc1ccc(O)cc1
InChIInChI=1S/C15H22N2O6/c18-13-1-3-14(4-2-13)23-15(19)11-12-5-7-16(8-6-12)9-10-22-17(20)21/h1-4,12,18,20-21H,5-11H2
InChIKeyLBJVYKATSFAMRV-UHFFFAOYSA-N
XLogP1.41
TPSA102.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]methyl 4-hydroxy-3-methoxybenzoate
CID 89047696
(3,5-dihydroxyphenyl) 2-[4-[2-(3,5-dihydroxyphenoxy)-2-oxoethyl]cyclohexyl]acetate
CID 67652637
4-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethoxy]phenol;hydrochloride
CID 23294365
tert-butyl 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]acetate
CID 158514756
(4-bromophenyl) 2-piperidin-4-ylacetate
CID 117125789
[4-(2-cyclopentylacetyl)oxyphenyl]methyl 2-methylpropanoate
CID 171426102
phenyl 2-[4-(2-phenoxyethyl)piperazin-1-yl]acetate
CID 59382148
pyridin-4-yl 2-cyclohexylacetate
CID 67828041
bis(4-hydroxyphenyl) hexanedioate
CID 66769037
(4-acetamidophenyl) 2-cyclohexylacetate
CID 51152581
(4-hydroxyphenyl) 3-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 57045611

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate?
The IUPAC name of (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate (CID 89209635) is (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate.
What is the SMILES notation for (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate?
The canonical SMILES for (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate is O=C(CC1CCN(CCON(O)O)CC1)Oc1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate?
The InChIKey is LBJVYKATSFAMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c18-13-1-3-14(4-2-13)23-15(19)11-12-5-7-16(8-6-12)9-10-22-17(20)21/h1-4,12,18,20-21H,5-11H2.
What are the key properties of (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate?
(4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate has a molecular weight of 326.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 2-[1-[2-(dihydroxyamino)oxyethyl]piperidin-4-yl]acetate is sourced from PubChem (CID 89209635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).