N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide

C12H23N3O — CID 163764373

IUPACN-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(\C(C)C)N1CCC(O)CC1
InChIInChI=1S/C12H23N3O/c1-9(2)12(14-10(3)13-4)15-7-5-11(16)6-8-15/h9,11,16H,5-8H2,1-4H3/b13-10+,14-12+
InChIKeyMAZDUVSFLJIGGQ-ADWQEOMMSA-N
MW225.34 g/mol
LogP1.55
Rot. Bonds1

About N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide

N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide (PubChem CID 163764373) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
PubChem CID163764373
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide
SMILESC/N=C(C)/N=C(\C(C)C)N1CCC(O)CC1
InChIInChI=1S/C12H23N3O/c1-9(2)12(14-10(3)13-4)15-7-5-11(16)6-8-15/h9,11,16H,5-8H2,1-4H3/b13-10+,14-12+
InChIKeyMAZDUVSFLJIGGQ-ADWQEOMMSA-N
XLogP1.55
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-(5-Ethyl-4,5-dihydropyrimidin-2-yl)piperidin-4-ol
CID 123410900
ethane;methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
CID 145380264
1-(1-Oxido-4-propan-2-yl-1,3-diazet-1-ium-2-yl)piperidin-4-ol
CID 163682990
[N-(4-hydroxypiperidine-1-carboximidoyl)-C-propan-2-ylcarbonimidoyl]oxidanium
CID 164061209
4-hydroxy-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 62367630
1-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)propan-2-ol
CID 70357606
2-Methyl-2-[(1-methylpiperidin-2-ylidene)amino]propan-1-ol
CID 130128500
N'-[(4-hydroxypiperidin-1-yl)methoxy]-2-methyl-N-methylidenepropanimidamide
CID 144429834
methyl 4-hydroxy-N-(2-methylpropanimidoyl)piperidine-1-carboximidate
CID 145380265

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide?
The IUPAC name of N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide (CID 163764373) is N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide.
What is the SMILES notation for N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide?
The canonical SMILES for N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide is C/N=C(C)/N=C(\C(C)C)N1CCC(O)CC1.
What is the InChIKey of N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide?
The InChIKey is MAZDUVSFLJIGGQ-ADWQEOMMSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)12(14-10(3)13-4)15-7-5-11(16)6-8-15/h9,11,16H,5-8H2,1-4H3/b13-10+,14-12+.
What are the key properties of N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide?
N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide has a molecular weight of 225.34 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxypiperidin-1-yl)-2-methylpropylidene]-N'-methylethanimidamide is sourced from PubChem (CID 163764373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).