N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide

C12H25N3O2 — CID 102958343

IUPACN'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
SMILESCOC1CN(CCCCC(N)=NO)CCC1C
InChIInChI=1S/C12H25N3O2/c1-10-6-8-15(9-11(10)17-2)7-4-3-5-12(13)14-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKCINEEJMWGDRHF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds6

About N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide

N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide (PubChem CID 102958343) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
PubChem CID102958343
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
SMILESCOC1CN(CCCCC(N)=NO)CCC1C
InChIInChI=1S/C12H25N3O2/c1-10-6-8-15(9-11(10)17-2)7-4-3-5-12(13)14-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyKCINEEJMWGDRHF-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
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

4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
CID 102964339
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63972125
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 76979643
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide (CID 102958343) is N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide is COC1CN(CCCCC(N)=NO)CCC1C.
What is the InChIKey of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide?
The InChIKey is KCINEEJMWGDRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10-6-8-15(9-11(10)17-2)7-4-3-5-12(13)14-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide?
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 102958343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).