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

C10H21N3O2 — CID 106836097

IUPACN'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide
SMILESCC(O)C1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C10H21N3O2/c1-8(14)9-2-5-13(6-3-9)7-4-10(11)12-15/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyOVVQQFIFCAERSD-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.22
Rot. Bonds4

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

N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide (PubChem CID 106836097) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide
PubChem CID106836097
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide
SMILESCC(O)C1CCN(CCC(N)=NO)CC1
InChIInChI=1S/C10H21N3O2/c1-8(14)9-2-5-13(6-3-9)7-4-10(11)12-15/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyOVVQQFIFCAERSD-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.22
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]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide (CID 106836097) is N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide is CC(O)C1CCN(CCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide?
The InChIKey is OVVQQFIFCAERSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(14)9-2-5-13(6-3-9)7-4-10(11)12-15/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide?
N'-hydroxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.22, 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]propanimidamide is sourced from PubChem (CID 106836097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).