2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

C15H23N3O — CID 43266553

IUPAC2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCN1Cc1ccccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O/c1-2-13-8-5-6-10-18(13)11-12-7-3-4-9-14(12)15(16)17-19/h3-4,7,9,13,19H,2,5-6,8,10-11H2,1H3,(H2,16,17)
InChIKeyAATAKFUZBABNQC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds4

About 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide

2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 43266553) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID43266553
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCCC1CCCCN1Cc1ccccc1/C(N)=N/O
InChIInChI=1S/C15H23N3O/c1-2-13-8-5-6-10-18(13)11-12-7-3-4-9-14(12)15(16)17-19/h3-4,7,9,13,19H,2,5-6,8,10-11H2,1H3,(H2,16,17)
InChIKeyAATAKFUZBABNQC-UHFFFAOYSA-N
XLogP2.55
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
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-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 76975855
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 82749636
N'-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 102781413
methyl 2-[(2-ethylpyrrolidin-1-yl)methyl]benzoate
CID 82969492
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005
2-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 54980628
2-[(4-tert-butylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 76934516
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 55158359

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 43266553) is 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is CCC1CCCCN1Cc1ccccc1/C(N)=N/O.
What is the InChIKey of 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is AATAKFUZBABNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-13-8-5-6-10-18(13)11-12-7-3-4-9-14(12)15(16)17-19/h3-4,7,9,13,19H,2,5-6,8,10-11H2,1H3,(H2,16,17).
What are the key properties of 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide?
2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43266553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).