4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide

C19H25FN4O2 — CID 111035602

IUPAC4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide
SMILESN/C(=N\CCCOCc1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O2/c20-16-4-6-17(7-5-16)23-9-11-24(12-10-23)19(21)22-8-2-13-25-15-18-3-1-14-26-18/h1,3-7,14H,2,8-13,15H2,(H2,21,22)
InChIKeyYLCZXNBTIJHSQI-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.46
Rot. Bonds7

About 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide (PubChem CID 111035602) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide
PubChem CID111035602
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide
SMILESN/C(=N\CCCOCc1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN4O2/c20-16-4-6-17(7-5-16)23-9-11-24(12-10-23)19(21)22-8-2-13-25-15-18-3-1-14-26-18/h1,3-7,14H,2,8-13,15H2,(H2,21,22)
InChIKeyYLCZXNBTIJHSQI-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.46
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'-(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-butoxyethyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111075047
N'-[2-(2-butoxyethoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111821827
4-(4-fluorophenyl)-N'-(4-propan-2-yloxybutyl)piperazine-1-carboximidamide;hydroiodide
CID 110029201
4-(4-fluorophenyl)-N'-(6-methylsulfanylhexyl)piperazine-1-carboximidamide;hydroiodide
CID 110032064
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
4-(4-fluorophenyl)-N'-(4-pyrrolidin-1-ylbutyl)piperazine-1-carboximidamide
CID 111059813
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
4-(4-fluorophenyl)-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 111091252
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide (CID 111035602) is 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide is N/C(=N\CCCOCc1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide?
The InChIKey is YLCZXNBTIJHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-16-4-6-17(7-5-16)23-9-11-24(12-10-23)19(21)22-8-2-13-25-15-18-3-1-14-26-18/h1,3-7,14H,2,8-13,15H2,(H2,21,22).
What are the key properties of 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide has a molecular weight of 360.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111035602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).