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

C11H22N4O2 — CID 60669946

IUPACN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide
SMILESN/C(CN1CCN(CC2CCCO2)CC1)=N\O
InChIInChI=1S/C11H22N4O2/c12-11(13-16)9-15-5-3-14(4-6-15)8-10-2-1-7-17-10/h10,16H,1-9H2,(H2,12,13)
InChIKeyKJJWNUMEJOHRPW-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.47
Rot. Bonds4

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

N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide (PubChem CID 60669946) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide
PubChem CID60669946
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide
SMILESN/C(CN1CCN(CC2CCCO2)CC1)=N\O
InChIInChI=1S/C11H22N4O2/c12-11(13-16)9-15-5-3-14(4-6-15)8-10-2-1-7-17-10/h10,16H,1-9H2,(H2,12,13)
InChIKeyKJJWNUMEJOHRPW-UHFFFAOYSA-N
XLogP-0.47
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.47
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide (CID 60669946) is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide is N/C(CN1CCN(CC2CCCO2)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
The InChIKey is KJJWNUMEJOHRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c12-11(13-16)9-15-5-3-14(4-6-15)8-10-2-1-7-17-10/h10,16H,1-9H2,(H2,12,13).
What are the key properties of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide has a molecular weight of 242.32 g/mol, XLogP of -0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 60669946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).