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

C10H21N3O2 — CID 43590330

IUPACN'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILESN/C(CCCN1CCCC(CO)C1)=N\O
InChIInChI=1S/C10H21N3O2/c11-10(12-15)4-2-6-13-5-1-3-9(7-13)8-14/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyVEKBJDSOUXLXSR-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.22
Rot. Bonds5

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

N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide (PubChem CID 43590330) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
PubChem CID43590330
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILESN/C(CCCN1CCCC(CO)C1)=N\O
InChIInChI=1S/C10H21N3O2/c11-10(12-15)4-2-6-13-5-1-3-9(7-13)8-14/h9,14-15H,1-8H2,(H2,11,12)
InChIKeyVEKBJDSOUXLXSR-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368034
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43403421
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43590334
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43590335
2-[3-(Hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43590348
3-[3-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590350

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide (CID 43590330) is N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide is N/C(CCCN1CCCC(CO)C1)=N\O.
What is the InChIKey of N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The InChIKey is VEKBJDSOUXLXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c11-10(12-15)4-2-6-13-5-1-3-9(7-13)8-14/h9,14-15H,1-8H2,(H2,11,12).
What are the key properties of N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide?
N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 43590330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).