N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide

C17H27FN4O — CID 111075047

IUPACN'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCCCCOCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN4O/c1-2-3-13-23-14-8-20-17(19)22-11-9-21(10-12-22)16-6-4-15(18)5-7-16/h4-7H,2-3,8-14H2,1H3,(H2,19,20)
InChIKeyFSBYFYQXZQUNDW-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.08
Rot. Bonds7

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

N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 111075047) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
PubChem CID111075047
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC NameN'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCCCCOCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN4O/c1-2-3-13-23-14-8-20-17(19)22-11-9-21(10-12-22)16-6-4-15(18)5-7-16/h4-7H,2-3,8-14H2,1H3,(H2,19,20)
InChIKeyFSBYFYQXZQUNDW-UHFFFAOYSA-N
XLogP2.08
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111821827
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
4-(4-fluorophenyl)-N'-[3-(2-methylpropoxy)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111035685
N'-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111802329
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
4-(4-fluorophenyl)-N'-pent-3-enylpiperazine-1-carboximidamide;hydroiodide
CID 111813721
4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide
CID 111035602
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111024115
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide (CID 111075047) is N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide is CCCCOCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is FSBYFYQXZQUNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-2-3-13-23-14-8-20-17(19)22-11-9-21(10-12-22)16-6-4-15(18)5-7-16/h4-7H,2-3,8-14H2,1H3,(H2,19,20).
What are the key properties of N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide?
N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 322.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111075047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).