N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide

C12H25N3O2 — CID 77062920

IUPACN'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN1CCCCC1CO)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)14-17)6-8-15-7-4-3-5-10(15)9-16/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyNHCSQDHSNMPBKG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.00
Rot. Bonds5

About N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide (PubChem CID 77062920) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
PubChem CID77062920
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
SMILESCC(C)(CCN1CCCCC1CO)C(N)=NO
InChIInChI=1S/C12H25N3O2/c1-12(2,11(13)14-17)6-8-15-7-4-3-5-10(15)9-16/h10,16-17H,3-9H2,1-2H3,(H2,13,14)
InChIKeyNHCSQDHSNMPBKG-UHFFFAOYSA-N
XLogP1.00
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.00
H-Bond Donors ≤ 53
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

N'-hydroxy-6-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710704
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251751
5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
CID 65259018
N'-hydroxy-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,2-dimethylbutanimidamide
CID 103942760
2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide
CID 83056160
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 79935358
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 77062967
[1-[2-(tert-butylamino)ethyl]piperidin-2-yl]methanol
CID 61407164
[(2R)-1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]methanol
CID 102977101
[1-(3-amino-4-methoxy-4-methylpentyl)piperidin-2-yl]methanol
CID 114229114
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide (CID 77062920) is N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide is CC(C)(CCN1CCCCC1CO)C(N)=NO.
What is the InChIKey of N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
The InChIKey is NHCSQDHSNMPBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(2,11(13)14-17)6-8-15-7-4-3-5-10(15)9-16/h10,16-17H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).