N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide

C11H23N3O2 — CID 106836098

IUPACN'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCC(C(C)O)CC1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-8(11(12)13-16)7-14-5-3-10(4-6-14)9(2)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMGOACARLSAPZPD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.46
Rot. Bonds4

About N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide

N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide (PubChem CID 106836098) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
PubChem CID106836098
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCC(C(C)O)CC1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-8(11(12)13-16)7-14-5-3-10(4-6-14)9(2)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyMGOACARLSAPZPD-UHFFFAOYSA-N
XLogP0.46
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.46
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
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309
3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836093
3,3,3-Trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808083
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808087
(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
CID 163960989
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133177

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide (CID 106836098) is N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide is CC(CN1CCC(C(C)O)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
The InChIKey is MGOACARLSAPZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8(11(12)13-16)7-14-5-3-10(4-6-14)9(2)15/h8-10,15-16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 106836098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).