N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide

C19H31FN4O2 — CID 111821827

IUPACN'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCCCCOCCOCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H31FN4O2/c1-2-3-13-25-15-16-26-14-8-22-19(21)24-11-9-23(10-12-24)18-6-4-17(20)5-7-18/h4-7H,2-3,8-16H2,1H3,(H2,21,22)
InChIKeyPYGJQAMKJPWXJG-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.10
Rot. Bonds10

About N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide

N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (PubChem CID 111821827) has the molecular formula C19H31FN4O2 and a molecular weight of 366.48 g/mol. Its IUPAC name is N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
PubChem CID111821827
Molecular FormulaC19H31FN4O2
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC NameN'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
SMILESCCCCOCCOCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H31FN4O2/c1-2-3-13-25-15-16-26-14-8-22-19(21)24-11-9-23(10-12-24)18-6-4-17(20)5-7-18/h4-7H,2-3,8-16H2,1H3,(H2,21,22)
InChIKeyPYGJQAMKJPWXJG-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
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-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide (CID 111821827) is N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is CCCCOCCOCC/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
The InChIKey is PYGJQAMKJPWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O2/c1-2-3-13-25-15-16-26-14-8-22-19(21)24-11-9-23(10-12-24)18-6-4-17(20)5-7-18/h4-7H,2-3,8-16H2,1H3,(H2,21,22).
What are the key properties of N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide?
N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide has a molecular weight of 366.48 g/mol, XLogP of 2.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111821827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).