4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide

C20H33FIN5O — CID 111803667

IUPAC4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOCCN1CCC(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1.I
InChIInChI=1S/C20H32FN5O.HI/c1-27-15-14-24-8-6-17(7-9-24)16-23-20(22)26-12-10-25(11-13-26)19-4-2-18(21)3-5-19;/h2-5,17H,6-16H2,1H3,(H2,22,23);1H
InChIKeyOFUBOGYSEJEXLQ-UHFFFAOYSA-N
MW505.42 g/mol
LogP2.24
Rot. Bonds6

About 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide

4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111803667) has the molecular formula C20H33FIN5O and a molecular weight of 505.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111803667
Molecular FormulaC20H33FIN5O
Molecular Weight505.42 g/mol
Exact Mass505.17
IUPAC Name4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCOCCN1CCC(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1.I
InChIInChI=1S/C20H32FN5O.HI/c1-27-15-14-24-8-6-17(7-9-24)16-23-20(22)26-12-10-25(11-13-26)19-4-2-18(21)3-5-19;/h2-5,17H,6-16H2,1H3,(H2,22,23);1H
InChIKeyOFUBOGYSEJEXLQ-UHFFFAOYSA-N
XLogP2.24
TPSA57.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 52.24
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-N'-[(1-propylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111077564
4-(4-fluorophenyl)-N'-[(4-methoxycyclohexyl)methyl]piperazine-1-carboximidamide
CID 119148519
N'-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111808353
N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-methylpiperidine-1-carboximidamide
CID 111109646
N'-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111808437
N'-[(4-cyanocyclohexyl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 120727905
N'-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111808438
N'-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111084722
N-ethyl-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 111546822
N'-[(1,1-dioxothiolan-3-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111045921
4-(4-fluorophenyl)-N'-(oxan-3-ylmethyl)piperazine-1-carboximidamide
CID 119119749
4-(4-fluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]piperazine-1-carboximidamide
CID 111802822

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide (CID 111803667) is 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide is COCCN1CCC(C/N=C(\N)N2CCN(c3ccc(F)cc3)CC2)CC1.I.
What is the InChIKey of 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OFUBOGYSEJEXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5O.HI/c1-27-15-14-24-8-6-17(7-9-24)16-23-20(22)26-12-10-25(11-13-26)19-4-2-18(21)3-5-19;/h2-5,17H,6-16H2,1H3,(H2,22,23);1H.
What are the key properties of 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide?
4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 505.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N'-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111803667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).