2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide

C10H22N4O — CID 77000740

IUPAC2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide
SMILESCCN1CCN(C(C)C(N)=NO)CC1C
InChIInChI=1S/C10H22N4O/c1-4-13-5-6-14(7-8(13)2)9(3)10(11)12-15/h8-9,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyRDIISYFFWFFDMU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.15
Rot. Bonds3

About 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide

2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 77000740) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide
PubChem CID77000740
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide
SMILESCCN1CCN(C(C)C(N)=NO)CC1C
InChIInChI=1S/C10H22N4O/c1-4-13-5-6-14(7-8(13)2)9(3)10(11)12-15/h8-9,15H,4-7H2,1-3H3,(H2,11,12)
InChIKeyRDIISYFFWFFDMU-UHFFFAOYSA-N
XLogP0.15
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide (CID 77000740) is 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide is CCN1CCN(C(C)C(N)=NO)CC1C.
What is the InChIKey of 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is RDIISYFFWFFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-4-13-5-6-14(7-8(13)2)9(3)10(11)12-15/h8-9,15H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide?
2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3-methylpiperazin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77000740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).