2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine

C20H23F3N2 — CID 95558447

IUPAC2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ccccn3)C2)c1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)18-7-3-5-16(13-18)9-10-17-6-4-12-25(14-17)15-19-8-1-2-11-24-19/h1-3,5,7-8,11,13,17H,4,6,9-10,12,14-15H2/t17-/m0/s1
InChIKeyLSYSUJQVFLXZBN-KRWDZBQOSA-N
MW348.41 g/mol
LogP4.95
Rot. Bonds5

About 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine

2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 95558447) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
PubChem CID95558447
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ccccn3)C2)c1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)18-7-3-5-16(13-18)9-10-17-6-4-12-25(14-17)15-19-8-1-2-11-24-19/h1-3,5,7-8,11,13,17H,4,6,9-10,12,14-15H2/t17-/m0/s1
InChIKeyLSYSUJQVFLXZBN-KRWDZBQOSA-N
XLogP4.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95542964
2-propan-2-yl-5-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidine
CID 95476526
2-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanol
CID 95723970
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine (CID 95558447) is 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine is FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ccccn3)C2)c1.
What is the InChIKey of 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is LSYSUJQVFLXZBN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23F3N2/c21-20(22,23)18-7-3-5-16(13-18)9-10-17-6-4-12-25(14-17)15-19-8-1-2-11-24-19/h1-3,5,7-8,11,13,17H,4,6,9-10,12,14-15H2/t17-/m0/s1.
What are the key properties of 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 348.41 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95558447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).