4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide

C20H32F2N4O — CID 109451205

IUPAC4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide
SMILESCCCC(CCO)C/N=C(\NCC)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H32F2N4O/c1-3-5-16(8-13-27)15-24-20(23-4-2)26-11-9-25(10-12-26)19-14-17(21)6-7-18(19)22/h6-7,14,16,27H,3-5,8-13,15H2,1-2H3,(H,23,24)
InChIKeyNPNSAFXBESJJCY-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.85
Rot. Bonds8

About 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide

4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide (PubChem CID 109451205) has the molecular formula C20H32F2N4O and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide
PubChem CID109451205
Molecular FormulaC20H32F2N4O
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC Name4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide
SMILESCCCC(CCO)C/N=C(\NCC)N1CCN(c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H32F2N4O/c1-3-5-16(8-13-27)15-24-20(23-4-2)26-11-9-25(10-12-26)19-14-17(21)6-7-18(19)22/h6-7,14,16,27H,3-5,8-13,15H2,1-2H3,(H,23,24)
InChIKeyNPNSAFXBESJJCY-UHFFFAOYSA-N
XLogP2.85
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.85
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'}

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Related Compounds

4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 109450545
4-(2,5-difluorophenyl)-N-ethyl-N'-prop-2-ynylpiperazine-1-carboximidamide
CID 109451231
4-(2,5-difluorophenyl)-N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 109451237
4-(2,5-difluorophenyl)-N-ethyl-N'-[[1-(hydroxymethyl)cyclopropyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 109450696
4-(2,5-difluorophenyl)-N-ethyl-N'-(2-methylsulfonylethyl)piperazine-1-carboximidamide
CID 109450547
4-(2,5-difluorophenyl)-N'-[(1,4-dimethylpiperazin-2-yl)methyl]-N-ethylpiperazine-1-carboximidamide
CID 109450715
4-(2,5-difluorophenyl)-N-ethyl-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 109451249
4-(2,5-difluorophenyl)-N-ethyl-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 109451521
4-(2,5-difluorophenyl)-N'-methyl-N-prop-2-ynylpiperazine-1-carboximidamide
CID 109450655
4-(2,5-difluorophenyl)-N-ethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 109450894
4-(2,5-difluorophenyl)-N'-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 109451625
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(2,5-difluorophenyl)-N-ethylpiperazine-1-carboximidamide
CID 109451501

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide (CID 109451205) is 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide is CCCC(CCO)C/N=C(\NCC)N1CCN(c2cc(F)ccc2F)CC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide?
The InChIKey is NPNSAFXBESJJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2N4O/c1-3-5-16(8-13-27)15-24-20(23-4-2)26-11-9-25(10-12-26)19-14-17(21)6-7-18(19)22/h6-7,14,16,27H,3-5,8-13,15H2,1-2H3,(H,23,24).
What are the key properties of 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide?
4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide has a molecular weight of 382.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N-ethyl-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide is sourced from PubChem (CID 109451205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).