3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol

C13H14ClF6N3O — CID 2738580

IUPAC3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F
InChIInChI=1S/C13H14ClF6N3O/c14-9-5-8(12(15,16)17)6-21-11(9)23-3-1-22(2-4-23)7-10(24)13(18,19)20/h5-6,10,24H,1-4,7H2
InChIKeyZAUYCHGXFFHZGO-UHFFFAOYSA-N
MW377.72 g/mol
LogP2.80
Rot. Bonds3

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

3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 2738580) has the molecular formula C13H14ClF6N3O and a molecular weight of 377.72 g/mol. Its IUPAC name is 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID2738580
Molecular FormulaC13H14ClF6N3O
Molecular Weight377.72 g/mol
Exact Mass377.07
IUPAC Name3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F
InChIInChI=1S/C13H14ClF6N3O/c14-9-5-8(12(15,16)17)6-21-11(9)23-3-1-22(2-4-23)7-10(24)13(18,19)20/h5-6,10,24H,1-4,7H2
InChIKeyZAUYCHGXFFHZGO-UHFFFAOYSA-N
XLogP2.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-methyloxime
CID 1477083
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methyl-4-piperidinecarboxamide
CID 2773877
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}acetic acid
CID 3429073
2-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-phenylethanol
CID 16318310
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-4-methylpiperazine
CID 1500243
N1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine
CID 2767079
2-{4-[5-Chloro-3-(trifluoromethyl)-2-pyridyl]piperazino}ethan-1-ol
CID 2795584

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 2738580) is 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol is OC(CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C(F)(F)F.
What is the InChIKey of 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZAUYCHGXFFHZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF6N3O/c14-9-5-8(12(15,16)17)6-21-11(9)23-3-1-22(2-4-23)7-10(24)13(18,19)20/h5-6,10,24H,1-4,7H2.
What are the key properties of 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 377.72 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 2738580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).