N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide

C12H22F3IN4 — CID 75533015

IUPACN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CCN(CC(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C12H21F3N4.HI/c13-12(14,15)9-18-7-4-10(8-18)17-11(16)19-5-2-1-3-6-19;/h10H,1-9H2,(H2,16,17);1H
InChIKeyMDRFELRUDSNMNA-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.04
Rot. Bonds2

About N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide

N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 75533015) has the molecular formula C12H22F3IN4 and a molecular weight of 406.23 g/mol. Its IUPAC name is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide
PubChem CID75533015
Molecular FormulaC12H22F3IN4
Molecular Weight406.23 g/mol
Exact Mass406.08
IUPAC NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\C1CCN(CC(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C12H21F3N4.HI/c13-12(14,15)9-18-7-4-10(8-18)17-11(16)19-5-2-1-3-6-19;/h10H,1-9H2,(H2,16,17);1H
InChIKeyMDRFELRUDSNMNA-UHFFFAOYSA-N
XLogP2.04
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide (CID 75533015) is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\C1CCN(CC(F)(F)F)C1)N1CCCCC1.
What is the InChIKey of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is MDRFELRUDSNMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4.HI/c13-12(14,15)9-18-7-4-10(8-18)17-11(16)19-5-2-1-3-6-19;/h10H,1-9H2,(H2,16,17);1H.
What are the key properties of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide?
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 406.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75533015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).