[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium

C11H15F3N3+ — CID 28873857

IUPAC[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
SMILES[NH3+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2/p+1
InChIKeyDAVHQAOEZPKBPV-UHFFFAOYSA-O
MW246.26 g/mol
LogP1.31
Rot. Bonds1

About [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium

[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium (PubChem CID 28873857) has the molecular formula C11H15F3N3+ and a molecular weight of 246.26 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
PubChem CID28873857
Molecular FormulaC11H15F3N3+
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
SMILES[NH3+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2/p+1
InChIKeyDAVHQAOEZPKBPV-UHFFFAOYSA-O
XLogP1.31
TPSA43.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
N-[(3S)-thiolan-3-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 97194477
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630

Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium?
The IUPAC name of [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium (CID 28873857) is [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium.
What is the SMILES notation for [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium?
The canonical SMILES for [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium is [NH3+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium?
The InChIKey is DAVHQAOEZPKBPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14F3N3/c12-11(13,14)8-1-2-10(16-7-8)17-5-3-9(15)4-6-17/h1-2,7,9H,3-6,15H2/p+1.
What are the key properties of [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium?
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium has a molecular weight of 246.26 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium is sourced from PubChem (CID 28873857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).