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

C12H15ClF3N — CID 45073796

IUPAC4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-4,10,16H,5-8H2;1H
InChIKeyKURKYPUJETYTIT-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.59
Rot. Bonds1

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

4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 45073796) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID45073796
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-4,10,16H,5-8H2;1H
InChIKeyKURKYPUJETYTIT-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 45073796) is 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride is Cl.FC(F)(F)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is KURKYPUJETYTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-4,10,16H,5-8H2;1H.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride?
4-[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 4-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 45073796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).