N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide

C13H24F3N3O — CID 111144428

IUPACN',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CCCC(C)C1
InChIInChI=1S/C13H24F3N3O/c1-11-5-3-7-19(9-11)12(17-2)18-6-4-8-20-10-13(14,15)16/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyDSUSXRGZDGHSJG-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.26
Rot. Bonds5

About N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide

N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (PubChem CID 111144428) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
PubChem CID111144428
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC NameN',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCOCC(F)(F)F)N1CCCC(C)C1
InChIInChI=1S/C13H24F3N3O/c1-11-5-3-7-19(9-11)12(17-2)18-6-4-8-20-10-13(14,15)16/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyDSUSXRGZDGHSJG-UHFFFAOYSA-N
XLogP2.26
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide (CID 111144428) is N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is C/N=C(\NCCCOCC(F)(F)F)N1CCCC(C)C1.
What is the InChIKey of N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
The InChIKey is DSUSXRGZDGHSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-11-5-3-7-19(9-11)12(17-2)18-6-4-8-20-10-13(14,15)16/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide?
N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide has a molecular weight of 295.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111144428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).