3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

C11H23N3O — CID 43584570

IUPAC3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1CCCN(CC(C)/C(N)=N/O)C1
InChIInChI=1S/C11H23N3O/c1-3-10-5-4-6-14(8-10)7-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBYRDTAFMLFFEPJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.49
Rot. Bonds4

About 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide

3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (PubChem CID 43584570) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
PubChem CID43584570
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
SMILESCCC1CCCN(CC(C)/C(N)=N/O)C1
InChIInChI=1S/C11H23N3O/c1-3-10-5-4-6-14(8-10)7-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyBYRDTAFMLFFEPJ-UHFFFAOYSA-N
XLogP1.49
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.49
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'}, {'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-methyl-3-pyrrolidin-1-ylpropanimidamide
CID 43367727
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
N'-hydroxy-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanimidamide
CID 76986941
3-(4-ethoxypiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61220902
1-(2,2-dimethoxyethyl)-3-ethylpiperidine
CID 66221675
N'-hydroxy-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanimidamide
CID 104937389
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248
ethyl 4-(3-ethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82778322
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide (CID 43584570) is 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is CCC1CCCN(CC(C)/C(N)=N/O)C1.
What is the InChIKey of 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is BYRDTAFMLFFEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10-5-4-6-14(8-10)7-9(2)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide?
3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidin-1-yl)-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 43584570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).