N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide

C15H19FN4 — CID 75482749

IUPACN'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCC#CC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-6-4-13(16)5-7-14/h4-7H,8-12H2,1H3,(H2,17,18)
InChIKeyYSSRYUUBBKUZCG-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.29
Rot. Bonds2

About N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide

N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 75482749) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
PubChem CID75482749
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCC#CC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H19FN4/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-6-4-13(16)5-7-14/h4-7H,8-12H2,1H3,(H2,17,18)
InChIKeyYSSRYUUBBKUZCG-UHFFFAOYSA-N
XLogP1.29
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N'-but-2-ynyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 75482746
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 111813721
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-(2-bromoprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120602
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
4-(4-fluorophenyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide
CID 111042071
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
4-(4-fluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]piperazine-1-carboximidamide
CID 111802822
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301

Frequently Asked Questions

What is the IUPAC name of N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide (CID 75482749) is N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide is CC#CC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is YSSRYUUBBKUZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-2-3-8-18-15(17)20-11-9-19(10-12-20)14-6-4-13(16)5-7-14/h4-7H,8-12H2,1H3,(H2,17,18).
What are the key properties of N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide?
N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 274.34 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 75482749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).