3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide

C10H22N6O2 — CID 68749710

IUPAC3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)CC(O)N1CCN(C(O)C/C(N)=N/[H])CC1
InChIInChI=1S/C10H22N6O2/c11-7(12)5-9(17)15-1-2-16(4-3-15)10(18)6-8(13)14/h9-10,17-18H,1-6H2,(H3,11,12)(H3,13,14)
InChIKeyKHYZGVKFBFGIBW-UHFFFAOYSA-N
MW258.33 g/mol
LogP-2.11
Rot. Bonds6

About 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide

3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide (PubChem CID 68749710) has the molecular formula C10H22N6O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide
PubChem CID68749710
Molecular FormulaC10H22N6O2
Molecular Weight258.33 g/mol
Exact Mass258.18
IUPAC Name3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide
SMILES[H]/N=C(\N)CC(O)N1CCN(C(O)C/C(N)=N/[H])CC1
InChIInChI=1S/C10H22N6O2/c11-7(12)5-9(17)15-1-2-16(4-3-15)10(18)6-8(13)14/h9-10,17-18H,1-6H2,(H3,11,12)(H3,13,14)
InChIKeyKHYZGVKFBFGIBW-UHFFFAOYSA-N
XLogP-2.11
TPSA146.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.33
LogP ≤ 5-2.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide?
The IUPAC name of 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide (CID 68749710) is 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide.
What is the SMILES notation for 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide?
The canonical SMILES for 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide is [H]/N=C(\N)CC(O)N1CCN(C(O)C/C(N)=N/[H])CC1.
What is the InChIKey of 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide?
The InChIKey is KHYZGVKFBFGIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6O2/c11-7(12)5-9(17)15-1-2-16(4-3-15)10(18)6-8(13)14/h9-10,17-18H,1-6H2,(H3,11,12)(H3,13,14).
What are the key properties of 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide?
3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide has a molecular weight of 258.33 g/mol, XLogP of -2.11, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide is sourced from PubChem (CID 68749710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).