(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol

C14H23AsN2O6 — CID 174365729

IUPAC(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O.OCN1CCCCC1
InChIInChI=1S/C8H10AsNO5.C6H13NO/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;8-6-7-4-2-1-3-5-7/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);8H,1-6H2
InChIKeyGPFFFODNXASRDS-UHFFFAOYSA-N
MW390.27 g/mol
LogP-0.67
Rot. Bonds3

About (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol

(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol (PubChem CID 174365729) has the molecular formula C14H23AsN2O6 and a molecular weight of 390.27 g/mol. Its IUPAC name is (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol.

Molecular Properties

Compound Name(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol
PubChem CID174365729
Molecular FormulaC14H23AsN2O6
Molecular Weight390.27 g/mol
Exact Mass390.08
IUPAC Name(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol
SMILESCC(=O)Nc1cc([As](=O)(O)O)ccc1O.OCN1CCCCC1
InChIInChI=1S/C8H10AsNO5.C6H13NO/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;8-6-7-4-2-1-3-5-7/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);8H,1-6H2
InChIKeyGPFFFODNXASRDS-UHFFFAOYSA-N
XLogP-0.67
TPSA130.33 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3-acetamido-4-hydroxyphenyl)arsonic acid;hydron
CID 174446645
(3-acetamido-4-hydroxyphenyl)arsonic acid;2,2,6,6-tetramethyl-1-oxidopiperidin-1-ium
CID 174432735
(3-acetamido-4-hydroxyphenyl)arsonic acid;2-ethoxycarbonylbutanoic acid
CID 174257876
(3-acetamido-4-hydroxyphenyl)arsonic acid;N-(2-methylbutyl)benzamide
CID 174311385
(3-acetamido-4-hydroxyphenyl)-(4-methylbenzoyl)oxyarsinic acid
CID 174956523
N-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 12883574
(6-acetamido-2-amino-3-hydroxyphenyl)arsonic acid
CID 150637413
(3-acetamido-4-hydroxyphenyl)-[(4R)-4-(2,4,5-trifluorophenyl)pentanoyl]oxyarsinic acid
CID 174724250
(3-acetamido-4-hydroxyphenyl)-(3-bromobenzoyl)oxyarsinic acid
CID 174793571
N-[5-(2-chloroacetyl)-2-hydroxyphenyl]acetamide
CID 7131311
N-[5-[2-(3-acetamido-4-hydroxyphenyl)-4-methylpentan-2-yl]-2-hydroxyphenyl]acetamide
CID 139610538
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol?
The IUPAC name of (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol (CID 174365729) is (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol.
What is the SMILES notation for (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol?
The canonical SMILES for (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol is CC(=O)Nc1cc([As](=O)(O)O)ccc1O.OCN1CCCCC1.
What is the InChIKey of (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol?
The InChIKey is GPFFFODNXASRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10AsNO5.C6H13NO/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;8-6-7-4-2-1-3-5-7/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);8H,1-6H2.
What are the key properties of (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol?
(3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol has a molecular weight of 390.27 g/mol, XLogP of -0.67, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-4-hydroxyphenyl)arsonic acid;piperidin-1-ylmethanol is sourced from PubChem (CID 174365729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).