(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride

C12H15ClF3N — CID 45074262

IUPAC(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10;/h3-6,10,16H,1-2,7-8H2;1H/t10-;/m1./s1
InChIKeyGNERKUYVCOPIJA-HNCPQSOCSA-N
MW265.71 g/mol
LogP3.59
Rot. Bonds1

About (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride

(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 45074262) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID45074262
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc([C@@H]2CCCNC2)cc1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10;/h3-6,10,16H,1-2,7-8H2;1H/t10-;/m1./s1
InChIKeyGNERKUYVCOPIJA-HNCPQSOCSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
3-(4-tert-butylphenyl)piperidine
CID 24904200
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
CID 116992340
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
3-[4-(thietan-3-yl)phenyl]piperidine
CID 115006012
2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 175661292
5-[4-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 156800900

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 45074262) is (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride is Cl.FC(F)(F)c1ccc([C@@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is GNERKUYVCOPIJA-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c13-12(14,15)11-5-3-9(4-6-11)10-2-1-7-16-8-10;/h3-6,10,16H,1-2,7-8H2;1H/t10-;/m1./s1.
What are the key properties of (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 45074262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).