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

C13H23F2N5 — CID 176520832

IUPACN-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\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
LogP1.89
Rot. Bonds1

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

N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 176520832) 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 CID176520832
Molecular FormulaC13H23F2N5
Molecular Weight287.36 g/mol
Exact Mass287.19
IUPAC NameN-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\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
XLogP1.89
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.89
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 N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide (CID 176520832) 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 [H]/N=C(\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 1.89, 1 rotatable bonds, 3 hydrogen bond donors, and 2 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 176520832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).