4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide

C19H30FN5 — CID 111059813

IUPAC4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
SMILESN/C(=N\CCCCN1CCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN5/c20-17-5-7-18(8-6-17)24-13-15-25(16-14-24)19(21)22-9-1-2-10-23-11-3-4-12-23/h5-8H,1-4,9-16H2,(H2,21,22)
InChIKeyWLLAESJBAFNRCD-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.14
Rot. Bonds6

About 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide (PubChem CID 111059813) has the molecular formula C19H30FN5 and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
PubChem CID111059813
Molecular FormulaC19H30FN5
Molecular Weight347.48 g/mol
Exact Mass347.25
IUPAC Name4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
SMILESN/C(=N\CCCCN1CCCC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H30FN5/c20-17-5-7-18(8-6-17)24-13-15-25(16-14-24)19(21)22-9-1-2-10-23-11-3-4-12-23/h5-8H,1-4,9-16H2,(H2,21,22)
InChIKeyWLLAESJBAFNRCD-UHFFFAOYSA-N
XLogP2.14
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.14
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

4-(4-fluorophenyl)-N'-[3-(3-methylpiperidin-1-yl)propyl]piperazine-1-carboximidamide
CID 111056970
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
N'-(3-butoxypropyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111025856
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide (CID 111059813) is 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide is N/C(=N\CCCCN1CCCC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide?
The InChIKey is WLLAESJBAFNRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5/c20-17-5-7-18(8-6-17)24-13-15-25(16-14-24)19(21)22-9-1-2-10-23-11-3-4-12-23/h5-8H,1-4,9-16H2,(H2,21,22).
What are the key properties of 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide has a molecular weight of 347.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111059813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).