N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

C12H23N3O2 — CID 81115553

IUPACN'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1(O)CCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-11(16)4-6-15(7-5-11)9-12(2-3-12)8-10(13)14-17/h16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyQXMWMNDXGJRUBD-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.75
Rot. Bonds4

About N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 81115553) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID81115553
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILESCC1(O)CCN(CC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C12H23N3O2/c1-11(16)4-6-15(7-5-11)9-12(2-3-12)8-10(13)14-17/h16-17H,2-9H2,1H3,(H2,13,14)
InChIKeyQXMWMNDXGJRUBD-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 81115553) is N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is CC1(O)CCN(CC2(CC(N)=NO)CC2)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is QXMWMNDXGJRUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(16)4-6-15(7-5-11)9-12(2-3-12)8-10(13)14-17/h16-17H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 241.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 81115553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).