N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide

C12H24N4O2 — CID 77057944

IUPACN'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CCC2CCCO2)CC1)=NO
InChIInChI=1S/C12H24N4O2/c13-12(14-17)10-16-7-5-15(6-8-16)4-3-11-2-1-9-18-11/h11,17H,1-10H2,(H2,13,14)
InChIKeyWHRFAOWIAXLDSB-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.08
Rot. Bonds5

About N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide (PubChem CID 77057944) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
PubChem CID77057944
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CCC2CCCO2)CC1)=NO
InChIInChI=1S/C12H24N4O2/c13-12(14-17)10-16-7-5-15(6-8-16)4-3-11-2-1-9-18-11/h11,17H,1-10H2,(H2,13,14)
InChIKeyWHRFAOWIAXLDSB-UHFFFAOYSA-N
XLogP-0.08
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.08
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

N-[1-[2-(oxolan-2-yl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 65160866
1-(2-bromoethyl)-4-[2-(oxolan-2-yl)ethyl]piperazine
CID 80673810
1-[2-(oxolan-2-yl)ethyl]piperidin-4-ol
CID 65165900
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970
4-[2-(oxolan-2-yl)ethyl]morpholine-2-carbothioamide
CID 79681740
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
CID 77057975
2-(4-cyclobutylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 121201830
1-[2-(oxolan-2-yl)ethyl]piperidine-4-carbaldehyde
CID 65165774
2-methyl-3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158752

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide (CID 77057944) is N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide is NC(CN1CCN(CCC2CCCO2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide?
The InChIKey is WHRFAOWIAXLDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-12(14-17)10-16-7-5-15(6-8-16)4-3-11-2-1-9-18-11/h11,17H,1-10H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide has a molecular weight of 256.35 g/mol, XLogP of -0.08, 5 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-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77057944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).