ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate

C13H27N3O2 — CID 145380264

IUPACethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
SMILESCC.[H]/N=C(/N=C(\OC)N1CCC(O)CC1)C(C)C
InChIInChI=1S/C11H21N3O2.C2H6/c1-8(2)10(12)13-11(16-3)14-6-4-9(15)5-7-14;1-2/h8-9,12,15H,4-7H2,1-3H3;1-2H3/b12-10+,13-11-;
InChIKeyURNBAHGKGRIWIA-JGLSZRGGSA-N
MW257.38 g/mol
LogP2.10
Rot. Bonds1

About ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate

ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate (PubChem CID 145380264) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate.

Molecular Properties

Compound Nameethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
PubChem CID145380264
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Nameethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
SMILESCC.[H]/N=C(/N=C(\OC)N1CCC(O)CC1)C(C)C
InChIInChI=1S/C11H21N3O2.C2H6/c1-8(2)10(12)13-11(16-3)14-6-4-9(15)5-7-14;1-2/h8-9,12,15H,4-7H2,1-3H3;1-2H3/b12-10+,13-11-;
InChIKeyURNBAHGKGRIWIA-JGLSZRGGSA-N
XLogP2.10
TPSA68.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
2-Imino-1-methylpiperidin-4-ol
CID 149848535
N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
CID 163764373
[N-(4-hydroxypiperidine-1-carboximidoyl)-C-propan-2-ylcarbonimidoyl]oxidanium
CID 164061209
3-(4-Hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43368002
4-hydroxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 62367630
1-(4-Methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 63175528
Cyclopropyl-(4-methoxypiperidin-1-yl)methanimine
CID 63175529
1-(4-Ethoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 63176607
4-(4-Hydroxy-3-methylpiperidin-1-yl)butanimidamide
CID 114678830
5-(4-Hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678834
methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
CID 145380265

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate?
The IUPAC name of ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate (CID 145380264) is ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate.
What is the SMILES notation for ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate?
The canonical SMILES for ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate is CC.[H]/N=C(/N=C(\OC)N1CCC(O)CC1)C(C)C.
What is the InChIKey of ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate?
The InChIKey is URNBAHGKGRIWIA-JGLSZRGGSA-N. The full InChI is InChI=1S/C11H21N3O2.C2H6/c1-8(2)10(12)13-11(16-3)14-6-4-9(15)5-7-14;1-2/h8-9,12,15H,4-7H2,1-3H3;1-2H3/b12-10+,13-11-;.
What are the key properties of ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate?
ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate has a molecular weight of 257.38 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate is sourced from PubChem (CID 145380264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).