2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide

C16H24N4O — CID 76938749

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C16H24N4O/c1-12-2-5-14(16(17)18-21)15(10-12)20-8-6-19(7-9-20)11-13-3-4-13/h2,5,10,13,21H,3-4,6-9,11H2,1H3,(H2,17,18)
InChIKeyAIARXFDHDQZORL-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.62
Rot. Bonds4

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide

2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76938749) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76938749
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCc1ccc(C(N)=NO)c(N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C16H24N4O/c1-12-2-5-14(16(17)18-21)15(10-12)20-8-6-19(7-9-20)11-13-3-4-13/h2,5,10,13,21H,3-4,6-9,11H2,1H3,(H2,17,18)
InChIKeyAIARXFDHDQZORL-UHFFFAOYSA-N
XLogP1.62
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.62
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

2-(4-ethylazepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 77024659
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
2-(4-tert-butylpiperidin-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939083
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916110
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938891
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylbenzenecarboximidamide
CID 76938795
N'-hydroxy-5-methyl-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 107929738
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76904193
N'-hydroxy-5-methyl-2-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 107929898
2-bromo-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 114883165
4-chloro-2-(4-ethylazepan-1-yl)-N'-hydroxybenzenecarboximidamide
CID 77024630
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76982046

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76938749) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide is Cc1ccc(C(N)=NO)c(N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is AIARXFDHDQZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-2-5-14(16(17)18-21)15(10-12)20-8-6-19(7-9-20)11-13-3-4-13/h2,5,10,13,21H,3-4,6-9,11H2,1H3,(H2,17,18).
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide?
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 288.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76938749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).