4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide

C18H27FN4O — CID 120762513

IUPAC4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide
SMILESCOCC1(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CCC1
InChIInChI=1S/C18H27FN4O/c1-24-14-18(7-2-8-18)13-21-17(20)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6H,2,7-14H2,1H3,(H2,20,21)
InChIKeyDEWJDZPPVJDVOK-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.08
Rot. Bonds5

About 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide

4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide (PubChem CID 120762513) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide
PubChem CID120762513
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide
SMILESCOCC1(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CCC1
InChIInChI=1S/C18H27FN4O/c1-24-14-18(7-2-8-18)13-21-17(20)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6H,2,7-14H2,1H3,(H2,20,21)
InChIKeyDEWJDZPPVJDVOK-UHFFFAOYSA-N
XLogP2.08
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-[[1-(methoxymethyl)cyclobutyl]methyl]morpholine-4-carboximidamide
CID 120762517
4-(4-fluorophenyl)-N'-[(1-methylsulfinylcyclobutyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 120672092
4-(4-fluorophenyl)-N'-[[1-(trifluoromethyl)cyclopropyl]methyl]piperazine-1-carboximidamide
CID 120973301
1-[[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812052
4-(4-fluorophenyl)-N'-[(4-hydroxyoxan-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111089788
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
CID 119117612
4-(4-fluorophenyl)-N'-[[4-(2-methoxyethoxy)phenyl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 111061352
methyl 5-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]pentanoate;hydroiodide
CID 111086172
N'-but-2-ynyl-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 75482749
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
N'-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111057246
4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
CID 119148519

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide (CID 120762513) is 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide is COCC1(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CCC1.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide?
The InChIKey is DEWJDZPPVJDVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-24-14-18(7-2-8-18)13-21-17(20)23-11-9-22(10-12-23)16-5-3-15(19)4-6-16/h3-6H,2,7-14H2,1H3,(H2,20,21).
What are the key properties of 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide?
4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide has a molecular weight of 334.44 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[[1-(methoxymethyl)cyclobutyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 120762513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).