(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine

C13H15F4N — CID 69231558

IUPAC(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
SMILESC[C@H]1CNCC[C@H]1c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H15F4N/c1-8-7-18-5-4-10(8)11-3-2-9(14)6-12(11)13(15,16)17/h2-3,6,8,10,18H,4-5,7H2,1H3/t8-,10+/m0/s1
InChIKeyMXONCHRPNXBXMT-WCBMZHEXSA-N
MW261.26 g/mol
LogP3.56
Rot. Bonds1

About (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine

(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine (PubChem CID 69231558) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
PubChem CID69231558
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
SMILESC[C@H]1CNCC[C@H]1c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C13H15F4N/c1-8-7-18-5-4-10(8)11-3-2-9(14)6-12(11)13(15,16)17/h2-3,6,8,10,18H,4-5,7H2,1H3/t8-,10+/m0/s1
InChIKeyMXONCHRPNXBXMT-WCBMZHEXSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
(3S,4S)-3-methyl-4-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]piperidine
CID 69227649
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
(3S,4S)-4-[2-chloro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69230877
2-[4-fluoro-2-(trifluoromethyl)phenyl]azetidine
CID 79016148
(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
CID 20775596
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
CID 107514264
(3S,4S)-3-methyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 51353706
3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
CID 22495560
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine?
The IUPAC name of (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine (CID 69231558) is (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine.
What is the SMILES notation for (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine?
The canonical SMILES for (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine is C[C@H]1CNCC[C@H]1c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine?
The InChIKey is MXONCHRPNXBXMT-WCBMZHEXSA-N. The full InChI is InChI=1S/C13H15F4N/c1-8-7-18-5-4-10(8)11-3-2-9(14)6-12(11)13(15,16)17/h2-3,6,8,10,18H,4-5,7H2,1H3/t8-,10+/m0/s1.
What are the key properties of (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine?
(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine has a molecular weight of 261.26 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine is sourced from PubChem (CID 69231558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).