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

C13H24ClF2N5 — CID 140856269

IUPAC2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H23F2N5.ClH/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);1H
InChIKeyWYWOEVMKSWNBMR-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.09
Rot. Bonds2

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

2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride (PubChem CID 140856269) has the molecular formula C13H24ClF2N5 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
PubChem CID140856269
Molecular FormulaC13H24ClF2N5
Molecular Weight323.82 g/mol
Exact Mass323.17
IUPAC Name2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H23F2N5.ClH/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);1H
InChIKeyWYWOEVMKSWNBMR-UHFFFAOYSA-N
XLogP2.09
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.09
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;hydrochloride?
The IUPAC name of 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride (CID 140856269) is 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride.
What is the SMILES notation for 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride?
The canonical SMILES for 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride is Cl.[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;hydrochloride?
The InChIKey is WYWOEVMKSWNBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N5.ClH/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);1H.
What are the key properties of 2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride?
2-N'-cyclohexyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.09, 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;hydrochloride is sourced from PubChem (CID 140856269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).