N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide

C12H26N4O2 — CID 55201586

IUPACN'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
SMILESCOCCCN1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C12H26N4O2/c1-12(2,11(13)14-17)16-8-6-15(7-9-16)5-4-10-18-3/h17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyQXBACDIVMAQNFF-UHFFFAOYSA-N
MW258.37 g/mol
LogP0.17
Rot. Bonds6

About N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide

N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide (PubChem CID 55201586) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
PubChem CID55201586
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
SMILESCOCCCN1CCN(C(C)(C)/C(N)=N/O)CC1
InChIInChI=1S/C12H26N4O2/c1-12(2,11(13)14-17)16-8-6-15(7-9-16)5-4-10-18-3/h17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyQXBACDIVMAQNFF-UHFFFAOYSA-N
XLogP0.17
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hydroxy-2-[4-[3-(2-methoxyethoxy)propyl]piperazin-1-yl]-2-methylpropanimidamide
CID 103409998
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433
N'-hydroxy-2-methyl-2-[4-(2-methylsulfanylethyl)piperazin-1-yl]propanimidamide
CID 104863517
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710782
N'-hydroxy-2-methyl-2-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]propanimidamide
CID 77012082
1-[4-(3-methoxypropyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113073330
4-(3-methoxypropyl)piperazin-1-amine
CID 158082524
2-(4-ethylsulfonylpiperazin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 55203523
1-[4-(3-methoxypropyl)piperazin-1-yl]propan-2-one
CID 153411883
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2-methyl-2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]propanimidamide
CID 82865429

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide (CID 55201586) is N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide is COCCCN1CCN(C(C)(C)/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide?
The InChIKey is QXBACDIVMAQNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-12(2,11(13)14-17)16-8-6-15(7-9-16)5-4-10-18-3/h17H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide has a molecular weight of 258.37 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 55201586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).