N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide

C14H29N3O2 — CID 102958330

IUPACN'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
SMILESCOC1CN(CCCC(C)(C)C(N)=NO)CCC1C
InChIInChI=1S/C14H29N3O2/c1-11-6-9-17(10-12(11)19-4)8-5-7-14(2,3)13(15)16-18/h11-12,18H,5-10H2,1-4H3,(H2,15,16)
InChIKeyXPVJRTAZIHVSTI-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.90
Rot. Bonds6

About N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide

N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 102958330) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
PubChem CID102958330
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
SMILESCOC1CN(CCCC(C)(C)C(N)=NO)CCC1C
InChIInChI=1S/C14H29N3O2/c1-11-6-9-17(10-12(11)19-4)8-5-7-14(2,3)13(15)16-18/h11-12,18H,5-10H2,1-4H3,(H2,15,16)
InChIKeyXPVJRTAZIHVSTI-UHFFFAOYSA-N
XLogP1.90
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.90
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

5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanoic acid
CID 102968597
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
CID 102958343
2-amino-5-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentanoic acid
CID 102966380
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanimidamide
CID 103942760

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide (CID 102958330) is N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide is COC1CN(CCCC(C)(C)C(N)=NO)CCC1C.
What is the InChIKey of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is XPVJRTAZIHVSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11-6-9-17(10-12(11)19-4)8-5-7-14(2,3)13(15)16-18/h11-12,18H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide?
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 1.90, 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)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 102958330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).