(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine

C13H16F3N — CID 51353706

IUPAC(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESC[C@@H]1CNCC[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N/c1-9-8-17-7-6-12(9)10-2-4-11(5-3-10)13(14,15)16/h2-5,9,12,17H,6-8H2,1H3/t9-,12+/m1/s1
InChIKeyLCDWKOPSJPOHGQ-SKDRFNHKSA-N
MW243.27 g/mol
LogP3.42
Rot. Bonds1

About (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine

(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 51353706) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID51353706
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine
SMILESC[C@@H]1CNCC[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3N/c1-9-8-17-7-6-12(9)10-2-4-11(5-3-10)13(14,15)16/h2-5,9,12,17H,6-8H2,1H3/t9-,12+/m1/s1
InChIKeyLCDWKOPSJPOHGQ-SKDRFNHKSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine (CID 51353706) is (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine is C[C@@H]1CNCC[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is LCDWKOPSJPOHGQ-SKDRFNHKSA-N. The full InChI is InChI=1S/C13H16F3N/c1-9-8-17-7-6-12(9)10-2-4-11(5-3-10)13(14,15)16/h2-5,9,12,17H,6-8H2,1H3/t9-,12+/m1/s1.
What are the key properties of (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine?
(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 243.27 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 51353706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).