N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide

C12H18N4O2 — CID 55080376

IUPACN'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide
SMILESCOc1ccc(N2CCN(/C(N)=N/O)CC2)cc1
InChIInChI=1S/C12H18N4O2/c1-18-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14-17/h2-5,17H,6-9H2,1H3,(H2,13,14)
InChIKeyFLCMJFMQHOHNBL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.52
Rot. Bonds2

About N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide

N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide (PubChem CID 55080376) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide
PubChem CID55080376
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide
SMILESCOc1ccc(N2CCN(/C(N)=N/O)CC2)cc1
InChIInChI=1S/C12H18N4O2/c1-18-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14-17/h2-5,17H,6-9H2,1H3,(H2,13,14)
InChIKeyFLCMJFMQHOHNBL-UHFFFAOYSA-N
XLogP0.52
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 87704248
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76915531
bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
CID 71755493
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
(E)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]but-2-enethioamide
CID 87798823
[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 18159287
4-(4-methoxyphenyl)-N'-(3-nitro-2-pyridinyl)piperazine-1-carboximidamide
CID 100575531
1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7998596
1-(4-methoxyphenyl)piperidine
CID 10130315
2-[[amino-[4-(4-chlorophenyl)piperazin-1-yl]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111083944
4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111242887

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide (CID 55080376) is N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide is COc1ccc(N2CCN(/C(N)=N/O)CC2)cc1.
What is the InChIKey of N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide?
The InChIKey is FLCMJFMQHOHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-11-4-2-10(3-5-11)15-6-8-16(9-7-15)12(13)14-17/h2-5,17H,6-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide?
N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide has a molecular weight of 250.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-methoxyphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 55080376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).