(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride

C12H14Cl2F3NO — CID 171195028

IUPAC(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@@H]2CCCCN2)cc1Cl
InChIInChI=1S/C12H13ClF3NO.ClH/c13-9-7-8(10-3-1-2-6-17-10)4-5-11(9)18-12(14,15)16;/h4-5,7,10,17H,1-3,6H2;1H/t10-;/m0./s1
InChIKeyUCNDVGBDGXGRQA-PPHPATTJSA-N
MW316.15 g/mol
LogP4.47
Rot. Bonds2

About (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride

(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride (PubChem CID 171195028) has the molecular formula C12H14Cl2F3NO and a molecular weight of 316.15 g/mol. Its IUPAC name is (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
PubChem CID171195028
Molecular FormulaC12H14Cl2F3NO
Molecular Weight316.15 g/mol
Exact Mass315.04
IUPAC Name(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc([C@@H]2CCCCN2)cc1Cl
InChIInChI=1S/C12H13ClF3NO.ClH/c13-9-7-8(10-3-1-2-6-17-10)4-5-11(9)18-12(14,15)16;/h4-5,7,10,17H,1-3,6H2;1H/t10-;/m0./s1
InChIKeyUCNDVGBDGXGRQA-PPHPATTJSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]azetidine;hydrochloride
CID 171197328
(2R)-2-[3-chloro-4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 171196154
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
CID 155976846
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
The IUPAC name of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride (CID 171195028) is (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
The canonical SMILES for (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride is Cl.FC(F)(F)Oc1ccc([C@@H]2CCCCN2)cc1Cl.
What is the InChIKey of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
The InChIKey is UCNDVGBDGXGRQA-PPHPATTJSA-N. The full InChI is InChI=1S/C12H13ClF3NO.ClH/c13-9-7-8(10-3-1-2-6-17-10)4-5-11(9)18-12(14,15)16;/h4-5,7,10,17H,1-3,6H2;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride has a molecular weight of 316.15 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 171195028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).