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

C12H21F3N4 — CID 75533016

IUPACN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
SMILESN/C(=N\C1CCN(CC(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C12H21F3N4/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)
InChIKeyLHPYXJJYXYNXGT-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.42
Rot. Bonds2

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

N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide (PubChem CID 75533016) has the molecular formula C12H21F3N4 and a molecular weight of 278.32 g/mol. Its IUPAC name is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
PubChem CID75533016
Molecular FormulaC12H21F3N4
Molecular Weight278.32 g/mol
Exact Mass278.17
IUPAC NameN'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
SMILESN/C(=N\C1CCN(CC(F)(F)F)C1)N1CCCCC1
InChIInChI=1S/C12H21F3N4/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)
InChIKeyLHPYXJJYXYNXGT-UHFFFAOYSA-N
XLogP1.42
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.42
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'}

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Related Compounds

N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide
CID 154494483
N-(diaminomethylidene)-4,4-difluoropiperidine-1-carboximidamide;N-(diaminomethylidene)-3,3-difluoropyrrolidine-1-carboximidamide
CID 157709552
N'-(N'-cyclohexylcarbamimidoyl)-3,3-difluoropyrrolidine-1-carboximidamide;hydrochloride
CID 172843565
N'-cyclopentyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 55141943
N'-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboximidamide
CID 62967430
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide;hydroiodide
CID 75533015
2-Methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 84584164
2-Methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 84584165
N'-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 95761551
N'-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide
CID 95761552
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 97214100
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 97214101

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide?
The IUPAC name of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide (CID 75533016) is N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide?
The canonical SMILES for N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide is 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?
The InChIKey is LHPYXJJYXYNXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4/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).
What are the key properties of N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide?
N'-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-1-carboximidamide has a molecular weight of 278.32 g/mol, XLogP of 1.42, 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 is sourced from PubChem (CID 75533016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).