2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol

C14H23N3O2 — CID 67132134

IUPAC2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
SMILESNOCc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H23N3O2/c15-19-12-14-3-1-13(2-4-14)11-17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-12,15H2
InChIKeyFMRUAMFBRRFTGO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.19
Rot. Bonds6

About 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 67132134) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID67132134
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
SMILESNOCc1ccc(CN2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H23N3O2/c15-19-12-14-3-1-13(2-4-14)11-17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-12,15H2
InChIKeyFMRUAMFBRRFTGO-UHFFFAOYSA-N
XLogP0.19
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 82135676
2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 18798287
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
2-[4-[[4-(3,4-dimethylphenoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 91774740
2-[4-[[4-[4-(spiro[2.4]heptan-2-yloxymethyl)phenyl]phenyl]methyl]piperazin-1-yl]ethanol
CID 145269196
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol (CID 67132134) is 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol is NOCc1ccc(CN2CCN(CCO)CC2)cc1.
What is the InChIKey of 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is FMRUAMFBRRFTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-19-12-14-3-1-13(2-4-14)11-17-7-5-16(6-8-17)9-10-18/h1-4,18H,5-12,15H2.
What are the key properties of 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 265.36 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 67132134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).