N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide

C13H21N5O — CID 77011852

IUPACN'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CCc2cccnc2)CC1)=NO
InChIInChI=1S/C13H21N5O/c14-13(16-19)11-18-8-6-17(7-9-18)5-3-12-2-1-4-15-10-12/h1-2,4,10,19H,3,5-9,11H2,(H2,14,16)
InChIKeyWEHGYHKMODJSQV-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.01
Rot. Bonds5

About N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide (PubChem CID 77011852) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
PubChem CID77011852
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(CCc2cccnc2)CC1)=NO
InChIInChI=1S/C13H21N5O/c14-13(16-19)11-18-8-6-17(7-9-18)5-3-12-2-1-4-15-10-12/h1-2,4,10,19H,3,5-9,11H2,(H2,14,16)
InChIKeyWEHGYHKMODJSQV-UHFFFAOYSA-N
XLogP-0.01
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]aniline
CID 63262779
[4-methoxy-1-(2-pyridin-3-ylethyl)piperidin-4-yl]methanamine
CID 114284152
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981
4-(imidazol-1-ylmethyl)-1-(2-pyridin-3-ylethyl)piperidin-4-ol
CID 171388657

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide (CID 77011852) is N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide is NC(CN1CCN(CCc2cccnc2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide?
The InChIKey is WEHGYHKMODJSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-13(16-19)11-18-8-6-17(7-9-18)5-3-12-2-1-4-15-10-12/h1-2,4,10,19H,3,5-9,11H2,(H2,14,16).
What are the key properties of N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide has a molecular weight of 263.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).