4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide

C20H33N5O — CID 111185212

IUPAC4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)CN1CCCC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H33N5O/c1-17(16-23-9-5-6-10-23)15-22-20(21-2)25-13-11-24(12-14-25)18-7-3-4-8-19(18)26/h3-4,7-8,17,26H,5-6,9-16H2,1-2H3,(H,21,22)
InChIKeyDLFSFBHNYITVNZ-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.82
Rot. Bonds5

About 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide

4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide (PubChem CID 111185212) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
PubChem CID111185212
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)CN1CCCC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H33N5O/c1-17(16-23-9-5-6-10-23)15-22-20(21-2)25-13-11-24(12-14-25)18-7-3-4-8-19(18)26/h3-4,7-8,17,26H,5-6,9-16H2,1-2H3,(H,21,22)
InChIKeyDLFSFBHNYITVNZ-UHFFFAOYSA-N
XLogP1.82
TPSA54.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(2-methoxyphenyl)-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111133017
4-(2,3-dimethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylpiperazine-1-carboximidamide
CID 111238333
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-4-phenylpiperazine-1-carboximidamide
CID 110961989
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961993
4-(2-hydroxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111185932
N-[2-(dimethylamino)-2-phenylethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185941
4-(2-hydroxyphenyl)-N-[2-(2-methoxyphenoxy)propyl]-N'-methylpiperazine-1-carboximidamide
CID 111503029
N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427395
N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184772
N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111186120
N-ethyl-4-(2-hydroxyphenyl)-N'-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111184921
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(3-methylbutoxy)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111185927

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide (CID 111185212) is 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide is C/N=C(\NCC(C)CN1CCCC1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide?
The InChIKey is DLFSFBHNYITVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-17(16-23-9-5-6-10-23)15-22-20(21-2)25-13-11-24(12-14-25)18-7-3-4-8-19(18)26/h3-4,7-8,17,26H,5-6,9-16H2,1-2H3,(H,21,22).
What are the key properties of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide?
4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide has a molecular weight of 359.52 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N'-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111185212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).