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

C12H19F4N5 — CID 137053755

IUPACN'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCC(F)(F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F4N5/c13-11(14)1-5-20(6-2-11)9(17)19-10(18)21-7-3-12(15,16)4-8-21/h1-8H2,(H3,17,18,19)
InChIKeyRMSWGCTTWFYWCZ-UHFFFAOYSA-N
MW309.31 g/mol
LogP1.70
Rot. Bonds

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

N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 137053755) has the molecular formula C12H19F4N5 and a molecular weight of 309.31 g/mol. Its IUPAC name is N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide
PubChem CID137053755
Molecular FormulaC12H19F4N5
Molecular Weight309.31 g/mol
Exact Mass309.16
IUPAC NameN'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(/N=C(N)N1CCC(F)(F)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H19F4N5/c13-11(14)1-5-20(6-2-11)9(17)19-10(18)21-7-3-12(15,16)4-8-21/h1-8H2,(H3,17,18,19)
InChIKeyRMSWGCTTWFYWCZ-UHFFFAOYSA-N
XLogP1.70
TPSA68.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 51.70
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'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide (CID 137053755) is N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide is [H]/N=C(/N=C(N)N1CCC(F)(F)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is RMSWGCTTWFYWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4N5/c13-11(14)1-5-20(6-2-11)9(17)19-10(18)21-7-3-12(15,16)4-8-21/h1-8H2,(H3,17,18,19).
What are the key properties of N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide?
N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 309.31 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-difluoropiperidine-1-carboximidoyl)-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 137053755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).