4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide

C19H22F2N4 — CID 19772106

IUPAC4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22F2N4/c20-15-3-1-13(2-4-15)18(24-17-7-5-16(21)6-8-17)14-9-11-25(12-10-14)19(22)23/h1-8,14,18,24H,9-12H2,(H3,22,23)
InChIKeyXUTOXJGUZHPWQA-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.72
Rot. Bonds4

About 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide

4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide (PubChem CID 19772106) has the molecular formula C19H22F2N4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
PubChem CID19772106
Molecular FormulaC19H22F2N4
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H22F2N4/c20-15-3-1-13(2-4-15)18(24-17-7-5-16(21)6-8-17)14-9-11-25(12-10-14)19(22)23/h1-8,14,18,24H,9-12H2,(H3,22,23)
InChIKeyXUTOXJGUZHPWQA-UHFFFAOYSA-N
XLogP3.72
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]-phenylmethanone
CID 19771949
4-fluoro-N-[(4-fluorophenyl)-piperidin-4-ylmethyl]aniline
CID 19771957
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[(1-benzylpiperidin-4-yl)-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 19772041
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorophenol
CID 64794069
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
4-[[cyclopropyl-(4-fluorophenyl)methyl]amino]cyclohexane-1-carboxamide
CID 43791713
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 43776718
1-[4-[3-[4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]-2-methylpropan-1-one
CID 19772098
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
CID 62317514
N-[cyclopentyl-(4-fluorophenyl)methyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438322

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide (CID 19772106) is 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(C(Nc2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is XUTOXJGUZHPWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4/c20-15-3-1-13(2-4-15)18(24-17-7-5-16(21)6-8-17)14-9-11-25(12-10-14)19(22)23/h1-8,14,18,24H,9-12H2,(H3,22,23).
What are the key properties of 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide?
4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 344.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoroanilino)-(4-fluorophenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 19772106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).