N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide

C11H21N3O3 — CID 114284281

IUPACN'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide
SMILESCOC1(C(N)=NO)CCN(C2CCOC2)CC1
InChIInChI=1S/C11H21N3O3/c1-16-11(10(12)13-15)3-5-14(6-4-11)9-2-7-17-8-9/h9,15H,2-8H2,1H3,(H2,12,13)
InChIKeyOUVGIYGKOOLWAW-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.00
Rot. Bonds3

About N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide

N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide (PubChem CID 114284281) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide
PubChem CID114284281
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide
SMILESCOC1(C(N)=NO)CCN(C2CCOC2)CC1
InChIInChI=1S/C11H21N3O3/c1-16-11(10(12)13-15)3-5-14(6-4-11)9-2-7-17-8-9/h9,15H,2-8H2,1H3,(H2,12,13)
InChIKeyOUVGIYGKOOLWAW-UHFFFAOYSA-N
XLogP0.00
TPSA80.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-methyl-1-(oxan-3-yl)piperidine-4-carbothioamide
CID 107161415
N-[1-(oxolan-3-yl)piperidin-4-ylidene]hydroxylamine
CID 63558761
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556
4-methoxy-N'-methyloxane-4-carboximidamide
CID 116779939
ethyl 1-[(3R)-oxolan-3-yl]piperidine-4-carboxylate
CID 95355404
1-tert-butyl-4-(oxolan-3-yl)piperazine
CID 118531588
4-chloro-1-(oxolan-3-yl)azepane
CID 130891419
1-methyl-4-(oxolan-3-yl)-1,4-diazepane
CID 143294368
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
1-(cyclopropylmethyl)-4-ethoxy-N'-hydroxypiperidine-4-carboximidamide
CID 114284287
1-(oxolan-3-yl)-4-propylpiperazine
CID 178050247
8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 103738480

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide (CID 114284281) is N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide is COC1(C(N)=NO)CCN(C2CCOC2)CC1.
What is the InChIKey of N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide?
The InChIKey is OUVGIYGKOOLWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-16-11(10(12)13-15)3-5-14(6-4-11)9-2-7-17-8-9/h9,15H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide?
N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methoxy-1-(oxolan-3-yl)piperidine-4-carboximidamide is sourced from PubChem (CID 114284281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).