2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide

C8H17N3O — CID 43590348

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCC(CO)C1
InChIInChI=1S/C8H17N3O/c9-8(10)5-11-3-1-2-7(4-11)6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeyVGMWWTKUDJJOHX-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.37
Rot. Bonds3

About 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide

2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide (PubChem CID 43590348) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
PubChem CID43590348
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCCC(CO)C1
InChIInChI=1S/C8H17N3O/c9-8(10)5-11-3-1-2-7(4-11)6-12/h7,12H,1-6H2,(H3,9,10)
InChIKeyVGMWWTKUDJJOHX-UHFFFAOYSA-N
XLogP-0.37
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
[1-(2-Aminoethyl)piperidin-3-yl]methanol
CID 43590171
[(3R)-1-(2-aminoethyl)piperidin-3-yl]methanol
CID 51629942
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
Ethane;2-(1-ethanimidoylpiperidin-4-yl)ethanol
CID 142175203
2-[4-(Hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133192
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43403421
N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43590330
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43590335
3-[3-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590350

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide (CID 43590348) is 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The InChIKey is VGMWWTKUDJJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c9-8(10)5-11-3-1-2-7(4-11)6-12/h7,12H,1-6H2,(H3,9,10).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 43590348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).