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

C8H17N3O2 — CID 43133177

IUPACN'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
SMILESN/C(CN1CCC(CO)CC1)=N\O
InChIInChI=1S/C8H17N3O2/c9-8(10-13)5-11-3-1-7(6-12)2-4-11/h7,12-13H,1-6H2,(H2,9,10)
InChIKeyISBFRWGBYOEUSU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.56
Rot. Bonds3

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

N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide (PubChem CID 43133177) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
PubChem CID43133177
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
SMILESN/C(CN1CCC(CO)CC1)=N\O
InChIInChI=1S/C8H17N3O2/c9-8(10-13)5-11-3-1-7(6-12)2-4-11/h7,12-13H,1-6H2,(H2,9,10)
InChIKeyISBFRWGBYOEUSU-UHFFFAOYSA-N
XLogP-0.56
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.56
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

3,3,3-trifluoro-N'-hydroxy-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
2-(3-(2-Fluoroethyl)-4-hydroxypiperidin-1-yl)-N'-hydroxyacetimidamide
CID 121203057
2-[(3R,4R)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502273
2-[(3S,4R)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502274
2-[(3R,4S)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502275
2-[(3S,4S)-3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
CID 129502276
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
3-[4-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133191
2-[4-(Hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133192
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43368029

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide (CID 43133177) is N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide is N/C(CN1CCC(CO)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The InChIKey is ISBFRWGBYOEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(10-13)5-11-3-1-7(6-12)2-4-11/h7,12-13H,1-6H2,(H2,9,10).
What are the key properties of N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 43133177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).