N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide

C14H19F2N3O — CID 111093347

IUPACN'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1cccc(OC(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H19F2N3O/c15-13(16)20-12-6-4-5-11(9-12)10-18-14(17)19-7-2-1-3-8-19/h4-6,9,13H,1-3,7-8,10H2,(H2,17,18)
InChIKeyKQEWAUSSRDKOOE-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.59
Rot. Bonds4

About N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide

N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide (PubChem CID 111093347) has the molecular formula C14H19F2N3O and a molecular weight of 283.32 g/mol. Its IUPAC name is N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
PubChem CID111093347
Molecular FormulaC14H19F2N3O
Molecular Weight283.32 g/mol
Exact Mass283.15
IUPAC NameN'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide
SMILESN/C(=N\Cc1cccc(OC(F)F)c1)N1CCCCC1
InChIInChI=1S/C14H19F2N3O/c15-13(16)20-12-6-4-5-11(9-12)10-18-14(17)19-7-2-1-3-8-19/h4-6,9,13H,1-3,7-8,10H2,(H2,17,18)
InChIKeyKQEWAUSSRDKOOE-UHFFFAOYSA-N
XLogP2.59
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
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'-[[3-(difluoromethoxy)phenyl]methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide
CID 111093341
N'-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048101
N'-[[3-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111093343
2-[[3-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110930301
N'-[(3-butoxyphenyl)methyl]piperidine-1-carboximidamide
CID 111049546
2-[3-[[[amino(piperidin-1-yl)methylidene]amino]methyl]phenoxy]-N,N-dimethylacetamide
CID 111047854
N'-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026746
N'-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111051112
N'-[2-(3-methylphenoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111820723
2-[[3-(difluoromethoxy)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111093283
N'-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111095453
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397

Frequently Asked Questions

What is the IUPAC name of N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide (CID 111093347) is N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide is N/C(=N\Cc1cccc(OC(F)F)c1)N1CCCCC1.
What is the InChIKey of N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide?
The InChIKey is KQEWAUSSRDKOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O/c15-13(16)20-12-6-4-5-11(9-12)10-18-14(17)19-7-2-1-3-8-19/h4-6,9,13H,1-3,7-8,10H2,(H2,17,18).
What are the key properties of N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide?
N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide has a molecular weight of 283.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(difluoromethoxy)phenyl]methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111093347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).