3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine

C12H15F3N2 — CID 145285268

IUPAC3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESCN1CC[C@@H](C(F)(F)F)C[C@H]1c1cccnc1
InChIInChI=1S/C12H15F3N2/c1-17-6-4-10(12(13,14)15)7-11(17)9-3-2-5-16-8-9/h2-3,5,8,10-11H,4,6-7H2,1H3/t10-,11+/m1/s1
InChIKeyMDOWGKGRPUIMEA-MNOVXSKESA-N
MW244.26 g/mol
LogP3.03
Rot. Bonds1

About 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine

3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine (PubChem CID 145285268) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine
PubChem CID145285268
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine
SMILESCN1CC[C@@H](C(F)(F)F)C[C@H]1c1cccnc1
InChIInChI=1S/C12H15F3N2/c1-17-6-4-10(12(13,14)15)7-11(17)9-3-2-5-16-8-9/h2-3,5,8,10-11H,4,6-7H2,1H3/t10-,11+/m1/s1
InChIKeyMDOWGKGRPUIMEA-MNOVXSKESA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine 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

hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
furan;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159944485

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine (CID 145285268) is 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine is CN1CC[C@@H](C(F)(F)F)C[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine?
The InChIKey is MDOWGKGRPUIMEA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15F3N2/c1-17-6-4-10(12(13,14)15)7-11(17)9-3-2-5-16-8-9/h2-3,5,8,10-11H,4,6-7H2,1H3/t10-,11+/m1/s1.
What are the key properties of 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine?
3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine has a molecular weight of 244.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 145285268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).