5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide

C16H26N4O — CID 76905955

IUPAC5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCN(Cc2ccccc2)CC1)=NO
InChIInChI=1S/C16H26N4O/c17-16(18-21)8-4-5-9-19-10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-3,6-7,21H,4-5,8-14H2,(H2,17,18)
InChIKeyRHOURZYQCQYANI-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds7

About 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide

5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 76905955) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
PubChem CID76905955
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCN(Cc2ccccc2)CC1)=NO
InChIInChI=1S/C16H26N4O/c17-16(18-21)8-4-5-9-19-10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-3,6-7,21H,4-5,8-14H2,(H2,17,18)
InChIKeyRHOURZYQCQYANI-UHFFFAOYSA-N
XLogP1.72
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 86750726
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
1-benzyl-4-heptylpiperazine
CID 22088087
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
6-(4-benzylpiperazin-1-yl)hexan-2-amine
CID 82853260
1-benzyl-4-butylpiperazine;ethane
CID 90954358
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
2-[3-(4-benzylpiperazin-1-yl)propyl]-1-(2-phenylethyl)guanidine
CID 111059119

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide (CID 76905955) is 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide is NC(CCCCN1CCN(Cc2ccccc2)CC1)=NO.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is RHOURZYQCQYANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c17-16(18-21)8-4-5-9-19-10-12-20(13-11-19)14-15-6-2-1-3-7-15/h1-3,6-7,21H,4-5,8-14H2,(H2,17,18).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide?
5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76905955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).