4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine

C20H23F3N2 — CID 95545419

IUPAC4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)19-6-2-1-5-18(19)8-7-16-4-3-13-25(14-16)15-17-9-11-24-12-10-17/h1-2,5-6,9-12,16H,3-4,7-8,13-15H2/t16-/m1/s1
InChIKeyULYZWVAGBKJAQQ-MRXNPFEDSA-N
MW348.41 g/mol
LogP4.95
Rot. Bonds5

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

4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine (PubChem CID 95545419) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
PubChem CID95545419
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2ccncc2)C1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)19-6-2-1-5-18(19)8-7-16-4-3-13-25(14-16)15-17-9-11-24-12-10-17/h1-2,5-6,9-12,16H,3-4,7-8,13-15H2/t16-/m1/s1
InChIKeyULYZWVAGBKJAQQ-MRXNPFEDSA-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-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
CID 95558692
N-ethyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyrimidin-2-amine
CID 95553794
5-methyl-3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95722364
N-methyl-2-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 95714450
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
N-methyl-N-propan-2-yl-2-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]acetamide
CID 56915391
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
N-methyl-5-[[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]furan-2-carboxamide
CID 95708474
2-pyridin-3-yl-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56881048
N-ethyl-3-[(3R)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propanamide
CID 95720669
2-hydroxy-1-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 56866872
pyridin-2-yl-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56861683

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine (CID 95545419) is 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine is FC(F)(F)c1ccccc1CC[C@H]1CCCN(Cc2ccncc2)C1.
What is the InChIKey of 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is ULYZWVAGBKJAQQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23F3N2/c21-20(22,23)19-6-2-1-5-18(19)8-7-16-4-3-13-25(14-16)15-17-9-11-24-12-10-17/h1-2,5-6,9-12,16H,3-4,7-8,13-15H2/t16-/m1/s1.
What are the key properties of 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine?
4-[[(3S)-3-[2-[2-(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 4-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95545419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).