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

C17H27N3O — CID 76905947

IUPAC5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCC(Cc2ccccc2)CC1)=NO
InChIInChI=1S/C17H27N3O/c18-17(19-21)8-4-5-11-20-12-9-16(10-13-20)14-15-6-2-1-3-7-15/h1-3,6-7,16,21H,4-5,8-14H2,(H2,18,19)
InChIKeySPIKAQNVCLXUDY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.86
Rot. Bonds7

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

5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 76905947) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
PubChem CID76905947
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESNC(CCCCN1CCC(Cc2ccccc2)CC1)=NO
InChIInChI=1S/C17H27N3O/c18-17(19-21)8-4-5-11-20-12-9-16(10-13-20)14-15-6-2-1-3-7-15/h1-3,6-7,16,21H,4-5,8-14H2,(H2,18,19)
InChIKeySPIKAQNVCLXUDY-UHFFFAOYSA-N
XLogP2.86
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-benzylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 76905955
4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 86750726
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483259
N'-[4-(4-benzylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 111807931
1-[4-(4-benzylpiperidin-1-yl)butyl]-2-(cyclobutylmethyl)guanidine
CID 111807968
3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
CID 57143217
5-[4-(2-fluorophenyl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 76905940
2-[4-(4-benzylpiperidin-1-yl)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111807955
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide (CID 76905947) is 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide is NC(CCCCN1CCC(Cc2ccccc2)CC1)=NO.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is SPIKAQNVCLXUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-17(19-21)8-4-5-11-20-12-9-16(10-13-20)14-15-6-2-1-3-7-15/h1-3,6-7,16,21H,4-5,8-14H2,(H2,18,19).
What are the key properties of 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide?
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 289.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 76905947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).