N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide

C11H23N3O2 — CID 102958320

IUPACN'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
SMILESCC1CCN(CCCCC(N)=NO)CC1O
InChIInChI=1S/C11H23N3O2/c1-9-5-7-14(8-10(9)15)6-3-2-4-11(12)13-16/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyCTWUPCHRIQXDBU-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.61
Rot. Bonds5

About N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide

N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide (PubChem CID 102958320) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
PubChem CID102958320
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
SMILESCC1CCN(CCCCC(N)=NO)CC1O
InChIInChI=1S/C11H23N3O2/c1-9-5-7-14(8-10(9)15)6-3-2-4-11(12)13-16/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyCTWUPCHRIQXDBU-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370258
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836093
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808087
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
(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-(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
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide (CID 102958320) is N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide is CC1CCN(CCCCC(N)=NO)CC1O.
What is the InChIKey of N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
The InChIKey is CTWUPCHRIQXDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9-5-7-14(8-10(9)15)6-3-2-4-11(12)13-16/h9-10,15-16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide?
N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-hydroxy-4-methylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 102958320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).