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

C11H23N3O2 — CID 106587066

IUPACN'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
SMILESCOCC1CCCN(CCCC(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-16-9-10-4-2-6-14(8-10)7-3-5-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyPZMVFWIUVXAXMX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.87
Rot. Bonds6

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

N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide (PubChem CID 106587066) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
PubChem CID106587066
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
SMILESCOCC1CCCN(CCCC(N)=NO)C1
InChIInChI=1S/C11H23N3O2/c1-16-9-10-4-2-6-14(8-10)7-3-5-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyPZMVFWIUVXAXMX-UHFFFAOYSA-N
XLogP0.87
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
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

N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 106587060
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 121201414
N'-hydroxy-5-[4-(methoxymethyl)piperidin-1-yl]pentanimidamide
CID 63972125
4-(4-ethylazepan-1-yl)-N'-hydroxybutanimidamide
CID 77024693
4-[3-(methoxymethyl)piperidin-1-yl]butanehydrazide
CID 106589698
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
4-(azocan-1-yl)-N'-hydroxybutanimidamide
CID 43211911
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide (CID 106587066) is N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide is COCC1CCCN(CCCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide?
The InChIKey is PZMVFWIUVXAXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-16-9-10-4-2-6-14(8-10)7-3-5-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide?
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 106587066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).