2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide

C20H22N4O — CID 122194709

IUPAC2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cccc(N4CCCCC4)c3O)cc2c1
InChIInChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
InChIKeyUPKHVFIPJSYMAP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.81
Rot. Bonds3

About 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide

2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide (PubChem CID 122194709) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide
PubChem CID122194709
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cccc(N4CCCCC4)c3O)cc2c1
InChIInChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22)
InChIKeyUPKHVFIPJSYMAP-UHFFFAOYSA-N
XLogP3.81
TPSA89.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

2-(2-hydroxyphenyl)-1H-indole-5-carboximidamide
CID 1508
2-(2-hydroxybiphenyl-3-yl)-1H-indole-5-carboxamidine
CID 447476
2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 9949886
2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 11057779
{amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
CID 23646620
2-[6-(1-Hydroxycyclohexyl)pyridin-2-Yl]-1h-Indole-5-Carboximidamide
CID 121232387
3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-2-ol
CID 135929169
5-amino-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indol-2-ol
CID 136241664
2-Propenenitrile, 3-amino-2-((1,3-dihydro-3-oxo-2H-indol-2-ylidene)methyl)-3-((1-methyl-2-phenylethyl)amino)-
CID 135492205
2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine
CID 1507
6-Fluoro-2-(2-hydroxy-biphenyl-3-yl)-1H-indole-5-carboxamidine
CID 9884570
2-(2-Hydroxy-biphenyl-3-yl)-6-methyl-1H-indole-5-carboxamidine
CID 10871563

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide?
The IUPAC name of 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide (CID 122194709) is 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide?
The canonical SMILES for 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cccc(N4CCCCC4)c3O)cc2c1.
What is the InChIKey of 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide?
The InChIKey is UPKHVFIPJSYMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-20(22)13-7-8-16-14(11-13)12-17(23-16)15-5-4-6-18(19(15)25)24-9-2-1-3-10-24/h4-8,11-12,23,25H,1-3,9-10H2,(H3,21,22).
What are the key properties of 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide?
2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide has a molecular weight of 334.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-piperidin-1-ylphenyl)-1H-indole-5-carboximidamide is sourced from PubChem (CID 122194709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).