4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide

C14H19F2N5O — CID 140856327

IUPAC4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/c1ccc(OC)cc1
InChIInChI=1S/C14H19F2N5O/c1-22-10-4-2-9(3-5-10)20-12(17)11-8-14(15,16)6-7-21(11)13(18)19/h2-5,11H,6-8H2,1H3,(H2,17,20)(H3,18,19)
InChIKeyNVNSUZNXXYPMAW-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.68
Rot. Bonds3

About 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide

4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide (PubChem CID 140856327) has the molecular formula C14H19F2N5O and a molecular weight of 311.34 g/mol. Its IUPAC name is 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide.

Molecular Properties

Compound Name4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide
PubChem CID140856327
Molecular FormulaC14H19F2N5O
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/c1ccc(OC)cc1
InChIInChI=1S/C14H19F2N5O/c1-22-10-4-2-9(3-5-10)20-12(17)11-8-14(15,16)6-7-21(11)13(18)19/h2-5,11H,6-8H2,1H3,(H2,17,20)(H3,18,19)
InChIKeyNVNSUZNXXYPMAW-UHFFFAOYSA-N
XLogP1.68
TPSA100.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
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

3,3-difluoro-2-N'-[4-(trifluoromethoxy)phenyl]pyrrolidine-1,2-dicarboximidamide
CID 140856287
4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride
CID 140856312
2-N'-(4-phenoxyphenyl)-2,3-dihydroindole-1,2-dicarboximidamide
CID 140673421
2-(4-methoxyphenyl)guanidine;hydrochloride
CID 22594132
N'-[N'-(4-methoxyphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123407379
4,4-difluoro-2-[(4-methoxyanilino)carbamoyl]pyrrolidine-1-carboxamide
CID 134211803
4-[(4-methoxyphenyl)methyl]piperazine-1-carboximidamide
CID 3043164
4-[[amino-(4-methoxyphenyl)methylidene]amino]benzoic acid
CID 142079900
2-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidine-1-carboximidamide
CID 175069852
bis(4-(4-methoxyphenyl)piperazine-1-carboximidamide);sulfuric acid
CID 71755493
N'-(4-methoxyphenyl)-2,3-dihydroindole-1-carboximidamide
CID 22627552
N'-(4-methoxyphenyl)propanimidamide
CID 63174454

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide?
The IUPAC name of 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide (CID 140856327) is 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide.
What is the SMILES notation for 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide?
The canonical SMILES for 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide is [H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/c1ccc(OC)cc1.
What is the InChIKey of 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide?
The InChIKey is NVNSUZNXXYPMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5O/c1-22-10-4-2-9(3-5-10)20-12(17)11-8-14(15,16)6-7-21(11)13(18)19/h2-5,11H,6-8H2,1H3,(H2,17,20)(H3,18,19).
What are the key properties of 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide?
4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide has a molecular weight of 311.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide is sourced from PubChem (CID 140856327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).