N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide

C15H24N4O2 — CID 81296987

IUPACN'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N2CCN(C)C(C)(C)C2)c1
InChIInChI=1S/C15H24N4O2/c1-15(2)10-19(8-7-18(15)3)13-9-11(21-4)5-6-12(13)14(16)17-20/h5-6,9,20H,7-8,10H2,1-4H3,(H2,16,17)
InChIKeyOWDJQSGQMFNASW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.32
Rot. Bonds3

About N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide

N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide (PubChem CID 81296987) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
PubChem CID81296987
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/O)c(N2CCN(C)C(C)(C)C2)c1
InChIInChI=1S/C15H24N4O2/c1-15(2)10-19(8-7-18(15)3)13-9-11(21-4)5-6-12(13)14(16)17-20/h5-6,9,20H,7-8,10H2,1-4H3,(H2,16,17)
InChIKeyOWDJQSGQMFNASW-UHFFFAOYSA-N
XLogP1.32
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.32
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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Related Compounds

4-chloro-N'-hydroxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000793
N'-hydroxy-4-methoxy-2-(1,4-thiazepan-4-yl)benzenecarboximidamide
CID 81303489
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302590
N'-hydroxy-4-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 81303015
2-fluoro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 79519529
2-chloro-N'-hydroxy-6-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 77000772
4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 63609906
2-amino-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 83385991
(2-hydroxy-4-methoxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63619887
2-(2-ethylimidazol-1-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81303403
2-methoxy-4-(3,3,4-trimethylpiperazin-1-yl)aniline
CID 63678193
2,3-difluoro-4-(3,3,4-trimethylpiperazin-1-yl)benzoic acid
CID 107935740

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide (CID 81296987) is N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide is COc1ccc(/C(N)=N/O)c(N2CCN(C)C(C)(C)C2)c1.
What is the InChIKey of N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
The InChIKey is OWDJQSGQMFNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2)10-19(8-7-18(15)3)13-9-11(21-4)5-6-12(13)14(16)17-20/h5-6,9,20H,7-8,10H2,1-4H3,(H2,16,17).
What are the key properties of N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide?
N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide has a molecular weight of 292.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 81296987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).