4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide

C21H26N4O2 — CID 139942265

IUPAC4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/CNc2cccc(OC3CCNCC3)c2)c1
InChIInChI=1S/C21H26N4O2/c22-21(23)16-6-7-20(26)15(13-16)3-2-10-25-17-4-1-5-19(14-17)27-18-8-11-24-12-9-18/h1-7,13-14,18,24-26H,8-12H2,(H3,22,23)/b3-2+
InChIKeyCUZRZULPRHZURU-NSCUHMNNSA-N
MW366.47 g/mol
LogP2.93
Rot. Bonds7

About 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide

4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide (PubChem CID 139942265) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide
PubChem CID139942265
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(O)c(/C=C/CNc2cccc(OC3CCNCC3)c2)c1
InChIInChI=1S/C21H26N4O2/c22-21(23)16-6-7-20(26)15(13-16)3-2-10-25-17-4-1-5-19(14-17)27-18-8-11-24-12-9-18/h1-7,13-14,18,24-26H,8-12H2,(H3,22,23)/b3-2+
InChIKeyCUZRZULPRHZURU-NSCUHMNNSA-N
XLogP2.93
TPSA103.39 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxyanilino]prop-1-enyl]-4-hydroxybenzenecarboximidamide
CID 139942269
5-[3-(3-carbamimidoylphenyl)prop-2-enylamino]-2-piperidin-4-yloxybenzoic acid
CID 70167650
N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-N-[3-piperidin-4-yloxy-2-(trifluoromethyl)phenyl]acetamide
CID 139942256
3-[(2S)-2-amino-3-(4-piperidin-4-yloxyphenyl)propoxy]benzenecarboximidamide
CID 59749372
3-[3-[[4-piperidin-4-yloxy-3-(trifluoromethyl)anilino]methyl]phenyl]benzenecarboximidamide
CID 18318152
3-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-fluoroanilino]prop-1-enyl]benzenecarboximidamide
CID 73437150
4-hydroxy-3-[(E)-prop-1-enyl]benzenecarboximidamide
CID 142087834
4-hydroxy-3-prop-1-enylbenzenecarboximidamide
CID 141032250
3-[3-[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-(trifluoromethyl)anilino]prop-1-enyl]benzenecarboximidamide
CID 73437147
3-(cyclobutylmethoxy)benzenecarboximidamide
CID 42656936
4-[N-[(E)-3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-3-(1-ethanimidoylpiperidin-4-yl)oxy-2-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 139942355
N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide
CID 174013338

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide?
The IUPAC name of 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide (CID 139942265) is 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide?
The canonical SMILES for 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(O)c(/C=C/CNc2cccc(OC3CCNCC3)c2)c1.
What is the InChIKey of 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide?
The InChIKey is CUZRZULPRHZURU-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-21(23)16-6-7-20(26)15(13-16)3-2-10-25-17-4-1-5-19(14-17)27-18-8-11-24-12-9-18/h1-7,13-14,18,24-26H,8-12H2,(H3,22,23)/b3-2+.
What are the key properties of 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide?
4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide has a molecular weight of 366.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(E)-3-(3-piperidin-4-yloxyanilino)prop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 139942265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).