5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide

C14H30N4O — CID 77109637

IUPAC5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)C1CCCN(CCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H30N4O/c1-14(2,13(15)16-19)8-6-10-18-9-5-7-12(11-18)17(3)4/h12,19H,5-11H2,1-4H3,(H2,15,16)
InChIKeyFAOUYKPCQZROHV-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.57
Rot. Bonds6

About 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide

5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77109637) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77109637
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCN(C)C1CCCN(CCCC(C)(C)C(N)=NO)C1
InChIInChI=1S/C14H30N4O/c1-14(2,13(15)16-19)8-6-10-18-9-5-7-12(11-18)17(3)4/h12,19H,5-11H2,1-4H3,(H2,15,16)
InChIKeyFAOUYKPCQZROHV-UHFFFAOYSA-N
XLogP1.57
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.57
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

6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823
5-[4-(dimethylamino)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65258912

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77109637) is 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide is CN(C)C1CCCN(CCCC(C)(C)C(N)=NO)C1.
What is the InChIKey of 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is FAOUYKPCQZROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-14(2,13(15)16-19)8-6-10-18-9-5-7-12(11-18)17(3)4/h12,19H,5-11H2,1-4H3,(H2,15,16).
What are the key properties of 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide?
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 270.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77109637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).