N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide

C16H26N4O — CID 76948994

IUPACN'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
SMILESCC(C)CN1CCN(Cc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)11-19-7-9-20(10-8-19)12-14-3-5-15(6-4-14)16(17)18-21/h3-6,13,21H,7-12H2,1-2H3,(H2,17,18)
InChIKeyNWOKVRIXBKKHDI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds5

About N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide

N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide (PubChem CID 76948994) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
PubChem CID76948994
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide
SMILESCC(C)CN1CCN(Cc2ccc(C(N)=NO)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)11-19-7-9-20(10-8-19)12-14-3-5-15(6-4-14)16(17)18-21/h3-6,13,21H,7-12H2,1-2H3,(H2,17,18)
InChIKeyNWOKVRIXBKKHDI-UHFFFAOYSA-N
XLogP1.55
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
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

4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 113222701
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
3-fluoro-N'-hydroxy-4-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 76948985
N'-hydroxy-4-(2-methylpropyl)benzenecarboximidamide
CID 96670524
ethane;[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methanamine;molecular hydrogen
CID 156794443
1-(2-methylpropyl)-4-[(4-propylphenyl)methyl]piperazine
CID 167264369
N'-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 144761059
2-amino-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 62776718
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011934
N-methyl-1-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]ethanamine
CID 155200662

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide (CID 76948994) is N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide is CC(C)CN1CCN(Cc2ccc(C(N)=NO)cc2)CC1.
What is the InChIKey of N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is NWOKVRIXBKKHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)11-19-7-9-20(10-8-19)12-14-3-5-15(6-4-14)16(17)18-21/h3-6,13,21H,7-12H2,1-2H3,(H2,17,18).
What are the key properties of N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 76948994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).