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

C8H17N3O2 — CID 130608366

IUPAC2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(O)(CO)CC1
InChIInChI=1S/C8H17N3O2/c9-7(10)5-11-3-1-8(13,6-12)2-4-11/h12-13H,1-6H2,(H3,9,10)
InChIKeyAHNGAFQIDMHBKD-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.26
Rot. Bonds3

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

2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide (PubChem CID 130608366) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
PubChem CID130608366
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCC(O)(CO)CC1
InChIInChI=1S/C8H17N3O2/c9-7(10)5-11-3-1-8(13,6-12)2-4-11/h12-13H,1-6H2,(H3,9,10)
InChIKeyAHNGAFQIDMHBKD-UHFFFAOYSA-N
XLogP-1.26
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide (CID 130608366) is 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCC(O)(CO)CC1.
What is the InChIKey of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
The InChIKey is AHNGAFQIDMHBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-7(10)5-11-3-1-8(13,6-12)2-4-11/h12-13H,1-6H2,(H3,9,10).
What are the key properties of 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide?
2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide has a molecular weight of 187.24 g/mol, XLogP of -1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 130608366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).