1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide

C12H15F3N4 — CID 66329242

IUPAC1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)9-3-4-18-10(6-9)19-5-1-2-8(7-19)11(16)17/h3-4,6,8H,1-2,5,7H2,(H3,16,17)
InChIKeyJQNFDLBCSNCIMT-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide

1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide (PubChem CID 66329242) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide
PubChem CID66329242
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide
SMILES[H]/N=C(\N)C1CCCN(c2cc(C(F)(F)F)ccn2)C1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)9-3-4-18-10(6-9)19-5-1-2-8(7-19)11(16)17/h3-4,6,8H,1-2,5,7H2,(H3,16,17)
InChIKeyJQNFDLBCSNCIMT-UHFFFAOYSA-N
XLogP2.25
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
N-methyl-N-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]cyclobutanecarboxamide
CID 166606013
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
N-cyclopropyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxamide
CID 166603071
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627
1-(3,5-difluoro-2-pyridinyl)piperidine-3-carboximidamide
CID 112675527
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
(3R)-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 95724010
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
(2S)-4-[4-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylic acid
CID 97108044

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide?
The IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide (CID 66329242) is 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide?
The canonical SMILES for 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide is [H]/N=C(\N)C1CCCN(c2cc(C(F)(F)F)ccn2)C1.
What is the InChIKey of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide?
The InChIKey is JQNFDLBCSNCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c13-12(14,15)9-3-4-18-10(6-9)19-5-1-2-8(7-19)11(16)17/h3-4,6,8H,1-2,5,7H2,(H3,16,17).
What are the key properties of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide?
1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide has a molecular weight of 272.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboximidamide is sourced from PubChem (CID 66329242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).