N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide

C13H23F2N5 — CID 154494480

IUPACN'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILESNC(=N/C(N)=N/C1CCCCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N5/c14-13(15)6-8-20(9-7-13)12(17)19-11(16)18-10-4-2-1-3-5-10/h10H,1-9H2,(H4,16,17,18,19)
InChIKeyFAXTYXOQDMWKBR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.68
Rot. Bonds1

About N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide

N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 154494480) has the molecular formula C13H23F2N5 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
PubChem CID154494480
Molecular FormulaC13H23F2N5
Molecular Weight287.36 g/mol
Exact Mass287.19
IUPAC NameN'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILESNC(=N/C(N)=N/C1CCCCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2N5/c14-13(15)6-8-20(9-7-13)12(17)19-11(16)18-10-4-2-1-3-5-10/h10H,1-9H2,(H4,16,17,18,19)
InChIKeyFAXTYXOQDMWKBR-UHFFFAOYSA-N
XLogP1.68
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide (CID 154494480) is N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide is NC(=N/C(N)=N/C1CCCCC1)N1CCC(F)(F)CC1.
What is the InChIKey of N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is FAXTYXOQDMWKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N5/c14-13(15)6-8-20(9-7-13)12(17)19-11(16)18-10-4-2-1-3-5-10/h10H,1-9H2,(H4,16,17,18,19).
What are the key properties of N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 287.36 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 154494480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).