(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride

C12H14Cl2F3N — CID 171195066

IUPAC(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@@H]2CCCCN2)c1Cl
InChIInChI=1S/C12H13ClF3N.ClH/c13-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(14,15)16;/h3-5,10,17H,1-2,6-7H2;1H/t10-;/m0./s1
InChIKeyZGYXHUUVZZVBMH-PPHPATTJSA-N
MW300.15 g/mol
LogP4.60
Rot. Bonds1

About (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride

(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 171195066) has the molecular formula C12H14Cl2F3N and a molecular weight of 300.15 g/mol. Its IUPAC name is (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID171195066
Molecular FormulaC12H14Cl2F3N
Molecular Weight300.15 g/mol
Exact Mass299.05
IUPAC Name(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc([C@@H]2CCCCN2)c1Cl
InChIInChI=1S/C12H13ClF3N.ClH/c13-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(14,15)16;/h3-5,10,17H,1-2,6-7H2;1H/t10-;/m0./s1
InChIKeyZGYXHUUVZZVBMH-PPHPATTJSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196381
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
2-chloro-3-piperidin-2-ylphenol
CID 130000735
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
2-piperidin-2-yl-5-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 115061404
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-(3-chloro-2-methylphenyl)piperidine
CID 83392215
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 171195066) is (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride is Cl.FC(F)(F)c1cccc([C@@H]2CCCCN2)c1Cl.
What is the InChIKey of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is ZGYXHUUVZZVBMH-PPHPATTJSA-N. The full InChI is InChI=1S/C12H13ClF3N.ClH/c13-11-8(10-6-1-2-7-17-10)4-3-5-9(11)12(14,15)16;/h3-5,10,17H,1-2,6-7H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride?
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 300.15 g/mol, XLogP of 4.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 171195066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).