2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

C12H15ClF3N3O — CID 2795584

IUPAC2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H15ClF3N3O/c13-9-7-10(12(14,15)16)11(17-8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2
InChIKeyNYMGNJNWMTZCFC-UHFFFAOYSA-N
MW309.72 g/mol
LogP1.87
Rot. Bonds3

About 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol

2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 2795584) has the molecular formula C12H15ClF3N3O and a molecular weight of 309.72 g/mol. Its IUPAC name is 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID2795584
Molecular FormulaC12H15ClF3N3O
Molecular Weight309.72 g/mol
Exact Mass309.09
IUPAC Name2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H15ClF3N3O/c13-9-7-10(12(14,15)16)11(17-8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2
InChIKeyNYMGNJNWMTZCFC-UHFFFAOYSA-N
XLogP1.87
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol 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

1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)thiomorpholine
CID 2821299
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 667619
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
2-{1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinylidene}acetic acid
CID 1477081
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 3755918
N-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl)urea
CID 3822186
Ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 4024930
1-{4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-(methylamino)ethan-1-one hydrochloride
CID 16195952
{(3R*,4R*)-1-(5-chloro-3-fluoropyridin-2-yl)-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72862331
N-allyl-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carbothioamide
CID 2741677

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol (CID 2795584) is 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is OCCN1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is NYMGNJNWMTZCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3O/c13-9-7-10(12(14,15)16)11(17-8-9)19-3-1-18(2-4-19)5-6-20/h7-8,20H,1-6H2.
What are the key properties of 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 309.72 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2795584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).