2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide

C13H23F2N5 — CID 140856270

IUPAC2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H23F2N5/c14-13(15)6-7-20(12(17)18)10(8-13)11(16)19-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,19)(H3,17,18)
InChIKeyXCJSFQBPXNVUIN-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.67
Rot. Bonds2

About 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide

2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide (PubChem CID 140856270) has the molecular formula C13H23F2N5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide.

Molecular Properties

Compound Name2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide
PubChem CID140856270
Molecular FormulaC13H23F2N5
Molecular Weight287.36 g/mol
Exact Mass287.19
IUPAC Name2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide
SMILES[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H23F2N5/c14-13(15)6-7-20(12(17)18)10(8-13)11(16)19-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,19)(H3,17,18)
InChIKeyXCJSFQBPXNVUIN-UHFFFAOYSA-N
XLogP1.67
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide?
The IUPAC name of 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide (CID 140856270) is 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide.
What is the SMILES notation for 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide?
The canonical SMILES for 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide is [H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide?
The InChIKey is XCJSFQBPXNVUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N5/c14-13(15)6-7-20(12(17)18)10(8-13)11(16)19-9-4-2-1-3-5-9/h9-10H,1-8H2,(H2,16,19)(H3,17,18).
What are the key properties of 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide?
2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide has a molecular weight of 287.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide is sourced from PubChem (CID 140856270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).