N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

C13H25F2N3 — CID 109490574

IUPACN-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(F)F)C1
InChIInChI=1S/C13H25F2N3/c1-4-6-13(2)7-5-8-18(10-13)12(16-3)17-9-11(14)15/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyRQGUWESULHVJDH-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.73
Rot. Bonds4

About N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide

N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (PubChem CID 109490574) has the molecular formula C13H25F2N3 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
PubChem CID109490574
Molecular FormulaC13H25F2N3
Molecular Weight261.36 g/mol
Exact Mass261.20
IUPAC NameN-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(F)F)C1
InChIInChI=1S/C13H25F2N3/c1-4-6-13(2)7-5-8-18(10-13)12(16-3)17-9-11(14)15/h11H,4-10H2,1-3H3,(H,16,17)
InChIKeyRQGUWESULHVJDH-UHFFFAOYSA-N
XLogP2.73
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
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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Related Compounds

1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109468695
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109468807
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 109469256
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 109469257
1-Ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(5,5,5-trifluoropentyl)guanidine
CID 109469267
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109469512
1-(2,2-Difluoroethyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109469866
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-(5,5,5-trifluoropentyl)guanidine
CID 109470516
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine;hydroiodide
CID 109470635
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109470636
1-[(1-Ethylcyclobutyl)methyl]-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109470996
2-Methyl-1-[3-(3-methylpiperidin-1-yl)propyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471113

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide (CID 109490574) is N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
The InChIKey is RQGUWESULHVJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N3/c1-4-6-13(2)7-5-8-18(10-13)12(16-3)17-9-11(14)15/h11H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide?
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide has a molecular weight of 261.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).