N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide

C11H19F2N5 — CID 122656908

IUPACN'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
SMILESNC(=N\CC1CC1)/N=C(\N)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N5/c12-11(13)3-5-18(6-4-11)10(15)17-9(14)16-7-8-1-2-8/h8H,1-7H2,(H4,14,15,16,17)
InChIKeyGSGDMMVROQIMJQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.76
Rot. Bonds2

About N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide

N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 122656908) has the molecular formula C11H19F2N5 and a molecular weight of 259.30 g/mol. Its IUPAC name is N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
PubChem CID122656908
Molecular FormulaC11H19F2N5
Molecular Weight259.30 g/mol
Exact Mass259.16
IUPAC NameN'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
SMILESNC(=N\CC1CC1)/N=C(\N)N1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N5/c12-11(13)3-5-18(6-4-11)10(15)17-9(14)16-7-8-1-2-8/h8H,1-7H2,(H4,14,15,16,17)
InChIKeyGSGDMMVROQIMJQ-UHFFFAOYSA-N
XLogP0.76
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.76
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'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide (CID 122656908) is N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide is NC(=N\CC1CC1)/N=C(\N)N1CCC(F)(F)CC1.
What is the InChIKey of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is GSGDMMVROQIMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N5/c12-11(13)3-5-18(6-4-11)10(15)17-9(14)16-7-8-1-2-8/h8H,1-7H2,(H4,14,15,16,17).
What are the key properties of N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide?
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 259.30 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 122656908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).