N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide

C10H22N4O — CID 43585305

IUPACN'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
SMILESCC(C)N1CCN(CC/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O/c1-9(2)14-7-5-13(6-8-14)4-3-10(11)12-15/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyNBNLKQPGEQRBCG-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.15
Rot. Bonds4

About N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide

N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide (PubChem CID 43585305) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
PubChem CID43585305
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC NameN'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide
SMILESCC(C)N1CCN(CC/C(N)=N/O)CC1
InChIInChI=1S/C10H22N4O/c1-9(2)14-7-5-13(6-8-14)4-3-10(11)12-15/h9,15H,3-8H2,1-2H3,(H2,11,12)
InChIKeyNBNLKQPGEQRBCG-UHFFFAOYSA-N
XLogP0.15
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

N'-methyl-1,4-di(propan-2-yl)piperazine-2-carboximidamide
CID 10656881
(1Z)-N'-Hydroxy-3-(4-methyl-1-piperazinyl)propanimidamide
CID 24692428
N'-hydroxy-2-(2-methylpiperidin-1-yl)ethanimidamide
CID 24697492
Piperidinopropioamidoxime
CID 76175176
Piperidinopropionamidoxime hydro chloride
CID 129771910
e-Piperidinopropioamidoxime
CID 129771937
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 55139614
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76209341
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 76979182
N'-hydroxy-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
CID 76979185
N'-hydroxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 76979189
N'-hydroxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 76979190

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide (CID 43585305) is N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide is CC(C)N1CCN(CC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
The InChIKey is NBNLKQPGEQRBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(2)14-7-5-13(6-8-14)4-3-10(11)12-15/h9,15H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide?
N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide has a molecular weight of 214.31 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-propan-2-ylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 43585305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).