N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide

C15H24N4O2 — CID 77012516

IUPACN'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H24N4O2/c1-13(15(16)17-20)19-9-7-18(8-10-19)11-12-21-14-5-3-2-4-6-14/h2-6,13,20H,7-12H2,1H3,(H2,16,17)
InChIKeyWXICJOIYSZEWPX-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.82
Rot. Bonds6

About N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide (PubChem CID 77012516) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
PubChem CID77012516
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C15H24N4O2/c1-13(15(16)17-20)19-9-7-18(8-10-19)11-12-21-14-5-3-2-4-6-14/h2-6,13,20H,7-12H2,1H3,(H2,16,17)
InChIKeyWXICJOIYSZEWPX-UHFFFAOYSA-N
XLogP0.82
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
N'-hydroxy-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboximidamide
CID 107161765
1-[4-(2-phenoxyethyl)piperazin-1-yl]-1-phenylpropan-2-ol;dihydrochloride
CID 3050035
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
N-cyclohexyl-N-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 78792835
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 30635620
1-[4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-phenoxyethyl)piperazin-1-yl]propan-2-ol
CID 4234342
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide (CID 77012516) is N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide?
The InChIKey is WXICJOIYSZEWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-13(15(16)17-20)19-9-7-18(8-10-19)11-12-21-14-5-3-2-4-6-14/h2-6,13,20H,7-12H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide has a molecular weight of 292.38 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).