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

C10H17F2N5 — CID 176520831

IUPACN-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N5/c11-10(12)3-5-17(6-4-10)9(14)16-8(13)15-7-1-2-7/h7H,1-6H2,(H4,13,14,15,16)
InChIKeyKHBYPKVVSKEXID-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.72
Rot. Bonds1

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

N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide (PubChem CID 176520831) has the molecular formula C10H17F2N5 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
PubChem CID176520831
Molecular FormulaC10H17F2N5
Molecular Weight245.28 g/mol
Exact Mass245.15
IUPAC NameN-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
SMILES[H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C10H17F2N5/c11-10(12)3-5-17(6-4-10)9(14)16-8(13)15-7-1-2-7/h7H,1-6H2,(H4,13,14,15,16)
InChIKeyKHBYPKVVSKEXID-UHFFFAOYSA-N
XLogP0.72
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.72
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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Related Compounds

CID 122656908
CID 122656908
N'-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 154494478
N'-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 154494479
N'-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 157738179
N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 176520828
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide
CID 176520832
N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176526664
N-[N'-(cyclopropylmethyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176531044
N-[N'-(3,3-difluorohexyl)carbamimidoyl]-4,4-difluoropiperidine-1-carboximidamide
CID 176531045
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
N'-cyclopropyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 64168702
N'-cyclopropyl-4-(trifluoromethyl)piperidine-1-carboximidamide
CID 65536534

Frequently Asked Questions

What is the IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The IUPAC name of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide (CID 176520831) is N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide.
What is the SMILES notation for N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The canonical SMILES for N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide is [H]/N=C(\N/C(N)=N/C1CC1)N1CCC(F)(F)CC1.
What is the InChIKey of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
The InChIKey is KHBYPKVVSKEXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5/c11-10(12)3-5-17(6-4-10)9(14)16-8(13)15-7-1-2-7/h7H,1-6H2,(H4,13,14,15,16).
What are the key properties of N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide?
N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide has a molecular weight of 245.28 g/mol, XLogP of 0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-cyclopropylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide is sourced from PubChem (CID 176520831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).