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

C9H19N3O2 — CID 43133176

IUPACN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
SMILESN/C(CCN1CCC(CO)CC1)=N\O
InChIInChI=1S/C9H19N3O2/c10-9(11-14)3-6-12-4-1-8(7-13)2-5-12/h8,13-14H,1-7H2,(H2,10,11)
InChIKeyYBZQGZRSIOJDIK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.17
Rot. Bonds4

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

N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide (PubChem CID 43133176) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
PubChem CID43133176
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
SMILESN/C(CCN1CCC(CO)CC1)=N\O
InChIInChI=1S/C9H19N3O2/c10-9(11-14)3-6-12-4-1-8(7-13)2-5-12/h8,13-14H,1-7H2,(H2,10,11)
InChIKeyYBZQGZRSIOJDIK-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.17
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-[[4-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369444
3,3,3-Trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103370562
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-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227566
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808087
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133177
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
3-[4-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133191
2-[4-(Hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133192
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxopropanimidamide
CID 43156168

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide (CID 43133176) is N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide is N/C(CCN1CCC(CO)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
The InChIKey is YBZQGZRSIOJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(11-14)3-6-12-4-1-8(7-13)2-5-12/h8,13-14H,1-7H2,(H2,10,11).
What are the key properties of N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide?
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.17, 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-(hydroxymethyl)piperidin-1-yl]propanimidamide is sourced from PubChem (CID 43133176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).