N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide

C12H23N3O2 — CID 77057975

IUPACN'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CCC1CCCO1
InChIInChI=1S/C12H23N3O2/c13-12(14-16)11-5-1-2-7-15(11)8-6-10-4-3-9-17-10/h10-11,16H,1-9H2,(H2,13,14)
InChIKeyXJMSWACLNCJZLS-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.16
Rot. Bonds4

About N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide

N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide (PubChem CID 77057975) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
PubChem CID77057975
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CCC1CCCO1
InChIInChI=1S/C12H23N3O2/c13-12(14-16)11-5-1-2-7-15(11)8-6-10-4-3-9-17-10/h10-11,16H,1-9H2,(H2,13,14)
InChIKeyXJMSWACLNCJZLS-UHFFFAOYSA-N
XLogP1.16
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.16
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-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboximidamide
CID 77057970
N'-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-2-carboximidamide
CID 77036137
N'-hydroxy-2-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]ethanimidamide
CID 77057944
N'-hydroxy-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-2-carboximidamide
CID 79171436
1-[(4-ethylmorpholin-2-yl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 79171537
N'-[2-(oxan-2-yl)ethyl]cyclopentanecarboximidamide
CID 106000913
tert-butyl (2S)-1-[2-(oxolan-2-yl)ethyl]pyrrolidine-2-carboxylate
CID 113330972
N'-[2-(oxan-2-yl)ethyl]azepane-1-carboximidamide;hydroiodide
CID 110018672
1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036162
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
1-(cyclopropylmethyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036067

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide (CID 77057975) is N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide is NC(=NO)C1CCCCN1CCC1CCCO1.
What is the InChIKey of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide?
The InChIKey is XJMSWACLNCJZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-12(14-16)11-5-1-2-7-15(11)8-6-10-4-3-9-17-10/h10-11,16H,1-9H2,(H2,13,14).
What are the key properties of N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide?
N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(oxolan-2-yl)ethyl]piperidine-2-carboximidamide is sourced from PubChem (CID 77057975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).