3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine

C13H16ClF3N2O — CID 94409728

IUPAC3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OCC[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2O/c14-11-6-10(13(15,16)17)8-19-12(11)20-5-3-9-2-1-4-18-7-9/h6,8-9,18H,1-5,7H2/t9-/m1/s1
InChIKeyZNHHOZOWQROTCF-SECBINFHSA-N
MW308.73 g/mol
LogP3.52
Rot. Bonds4

About 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine

3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine (PubChem CID 94409728) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
PubChem CID94409728
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(OCC[C@H]2CCCNC2)c(Cl)c1
InChIInChI=1S/C13H16ClF3N2O/c14-11-6-10(13(15,16)17)8-19-12(11)20-5-3-9-2-1-4-18-7-9/h6,8-9,18H,1-5,7H2/t9-/m1/s1
InChIKeyZNHHOZOWQROTCF-SECBINFHSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
3-chloro-2-(2-pyrrolidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 114796299
5-bromo-3-chloro-2-(2-piperidin-3-ylethoxy)pyridine
CID 103583976
5-bromo-2-(2-piperidin-3-ylethoxy)-3-(trifluoromethyl)pyridine
CID 106796833
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
5-fluoro-2-[2-[(3R)-piperidin-3-yl]ethoxy]pyrimidine
CID 97165134
3-[2-(3-chlorophenoxy)ethyl]piperidine
CID 22309129
(3R)-3-[2-(2,4-dichlorophenoxy)ethyl]piperidine
CID 86320969
3-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 56830076
3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine (CID 94409728) is 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(OCC[C@H]2CCCNC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine?
The InChIKey is ZNHHOZOWQROTCF-SECBINFHSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c14-11-6-10(13(15,16)17)8-19-12(11)20-5-3-9-2-1-4-18-7-9/h6,8-9,18H,1-5,7H2/t9-/m1/s1.
What are the key properties of 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine?
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine has a molecular weight of 308.73 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 94409728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).