1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol

C14H19F3N4O — CID 91491460

IUPAC1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CCN(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-1-2-13(18-9-11)19-5-7-20(8-6-19)21-4-3-12(22)10-21/h1-2,9,12,22H,3-8,10H2
InChIKeyQLDVOZDQUJRWGG-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.20
Rot. Bonds2

About 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol

1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol (PubChem CID 91491460) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol
PubChem CID91491460
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol
SMILESOC1CCN(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)11-1-2-13(18-9-11)19-5-7-20(8-6-19)21-4-3-12(22)10-21/h1-2,9,12,22H,3-8,10H2
InChIKeyQLDVOZDQUJRWGG-UHFFFAOYSA-N
XLogP1.20
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
1-(4-fluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 3702315
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
3-piperidin-1-yl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 165433334
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24876993
(2,6-dimethylmorpholin-4-yl)-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 17447797
morpholin-4-yl-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 165434630
1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol (CID 91491460) is 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol is OC1CCN(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)C1.
What is the InChIKey of 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol?
The InChIKey is QLDVOZDQUJRWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)11-1-2-13(18-9-11)19-5-7-20(8-6-19)21-4-3-12(22)10-21/h1-2,9,12,22H,3-8,10H2.
What are the key properties of 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol?
1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol has a molecular weight of 316.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidin-3-ol is sourced from PubChem (CID 91491460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).