(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine

C13H15F4N — CID 51970058

IUPAC(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
SMILESFc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C13H15F4N/c14-12-5-3-10(4-6-12)8-18-7-1-2-11(9-18)13(15,16)17/h3-6,11H,1-2,7-9H2/t11-/m1/s1
InChIKeyXAXDMNDPZRTETQ-LLVKDONJSA-N
MW261.26 g/mol
LogP3.60
Rot. Bonds2

About (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine

(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine (PubChem CID 51970058) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
PubChem CID51970058
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
SMILESFc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1
InChIInChI=1S/C13H15F4N/c14-12-5-3-10(4-6-12)8-18-7-1-2-11(9-18)13(15,16)17/h3-6,11H,1-2,7-9H2/t11-/m1/s1
InChIKeyXAXDMNDPZRTETQ-LLVKDONJSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine 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

3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 165413623
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056
(4-pentan-3-ylpiperazin-1-yl)-[4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methanone
CID 10323627
3-cyclopropyl-1-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 64870330
2-(1-benzylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982590
1-[3-(4-bromophenyl)propyl]-3-(trifluoromethyl)piperidine
CID 175666595

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine (CID 51970058) is (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine is Fc1ccc(CN2CCC[C@@H](C(F)(F)F)C2)cc1.
What is the InChIKey of (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
The InChIKey is XAXDMNDPZRTETQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15F4N/c14-12-5-3-10(4-6-12)8-18-7-1-2-11(9-18)13(15,16)17/h3-6,11H,1-2,7-9H2/t11-/m1/s1.
What are the key properties of (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine has a molecular weight of 261.26 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 51970058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).