4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide

C19H30FN5O — CID 111802248

IUPAC4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
SMILESCC(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)CN1CCOCC1
InChIInChI=1S/C19H30FN5O/c1-16(15-23-10-12-26-13-11-23)14-22-19(21)25-8-6-24(7-9-25)18-4-2-17(20)3-5-18/h2-5,16H,6-15H2,1H3,(H2,21,22)
InChIKeyAKRXARUIQWJRQI-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.23
Rot. Bonds5

About 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide (PubChem CID 111802248) has the molecular formula C19H30FN5O and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
PubChem CID111802248
Molecular FormulaC19H30FN5O
Molecular Weight363.48 g/mol
Exact Mass363.24
IUPAC Name4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide
SMILESCC(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)CN1CCOCC1
InChIInChI=1S/C19H30FN5O/c1-16(15-23-10-12-26-13-11-23)14-22-19(21)25-8-6-24(7-9-25)18-4-2-17(20)3-5-18/h2-5,16H,6-15H2,1H3,(H2,21,22)
InChIKeyAKRXARUIQWJRQI-UHFFFAOYSA-N
XLogP1.23
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
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'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111816893
4-(4-fluorophenyl)-N'-[2-(2-methoxyphenyl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111097686
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
4-(4-fluorophenyl)-N'-[(4-hydroxyoxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111089788
4-(4-fluorophenyl)-N'-(2-methyl-2-methylsulfonylpropyl)piperazine-1-carboximidamide
CID 111752144
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
4-(4-fluorophenyl)-N'-[2-(2-hydroxyethyl)pentyl]piperazine-1-carboximidamide;hydroiodide
CID 111822733
2-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111083309
4-(4-fluorophenyl)-N'-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111064796

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide (CID 111802248) is 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide is CC(C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1)CN1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
The InChIKey is AKRXARUIQWJRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O/c1-16(15-23-10-12-26-13-11-23)14-22-19(21)25-8-6-24(7-9-25)18-4-2-17(20)3-5-18/h2-5,16H,6-15H2,1H3,(H2,21,22).
What are the key properties of 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide has a molecular weight of 363.48 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-(2-methyl-3-morpholin-4-ylpropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111802248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).