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

C10H18ClF2N5 — CID 140856266

IUPAC2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CC1
InChIInChI=1S/C10H17F2N5.ClH/c11-10(12)3-4-17(9(14)15)7(5-10)8(13)16-6-1-2-6;/h6-7H,1-5H2,(H2,13,16)(H3,14,15);1H
InChIKeyNYPSASFXUZGKJB-UHFFFAOYSA-N
MW281.74 g/mol
LogP0.92
Rot. Bonds2

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

2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride (PubChem CID 140856266) has the molecular formula C10H18ClF2N5 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
PubChem CID140856266
Molecular FormulaC10H18ClF2N5
Molecular Weight281.74 g/mol
Exact Mass281.12
IUPAC Name2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CC1
InChIInChI=1S/C10H17F2N5.ClH/c11-10(12)3-4-17(9(14)15)7(5-10)8(13)16-6-1-2-6;/h6-7H,1-5H2,(H2,13,16)(H3,14,15);1H
InChIKeyNYPSASFXUZGKJB-UHFFFAOYSA-N
XLogP0.92
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.92
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'}

Analyze 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-difluoro-2-N'-(4-methoxyphenyl)piperidine-1,2-dicarboximidamide
CID 140856327
N-(N'-cyclohexylcarbamimidoyl)-4,4-difluoropiperidine-1-carboximidamide;hydrochloride
CID 176542819
3,3-difluoropyrrolidine-1-carboximidamide
CID 121200791
N'-cyclopropyl-3,3-difluoropyrrolidine-1-carboximidamide
CID 130690545
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
(2S)-1-carbamimidoylazetidine-2-carboxylic acid
CID 118492901
2-N'-(2-bromophenyl)-3,3-difluoropyrrolidine-1,2-dicarboximidamide
CID 140856302
2-methylpyrrolidine-1-carboximidamide
CID 60974504
4,4-difluorocyclohexane-1-carboximidamide
CID 83854458
3,3-difluoro-2-N'-[4-(trifluoromethoxy)phenyl]pyrrolidine-1,2-dicarboximidamide
CID 140856287
4-fluoro-2-N'-[4-(trifluoromethoxy)phenyl]piperidine-1,2-dicarboximidamide;hydrochloride
CID 140856312
(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
CID 129495358

Frequently Asked Questions

What is the IUPAC name of 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride?
The IUPAC name of 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride (CID 140856266) is 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride.
What is the SMILES notation for 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride?
The canonical SMILES for 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride is Cl.[H]/N=C(\N)N1CCC(F)(F)CC1/C(N)=N/C1CC1.
What is the InChIKey of 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride?
The InChIKey is NYPSASFXUZGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N5.ClH/c11-10(12)3-4-17(9(14)15)7(5-10)8(13)16-6-1-2-6;/h6-7H,1-5H2,(H2,13,16)(H3,14,15);1H.
What are the key properties of 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride?
2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride has a molecular weight of 281.74 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-cyclopropyl-4,4-difluoropiperidine-1,2-dicarboximidamide;hydrochloride is sourced from PubChem (CID 140856266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).