(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine

C19H24F3N3 — CID 95539312

IUPAC(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCn1ccnc1CN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H24F3N3/c1-24-11-9-23-18(24)14-25-10-3-5-16(13-25)8-7-15-4-2-6-17(12-15)19(20,21)22/h2,4,6,9,11-12,16H,3,5,7-8,10,13-14H2,1H3/t16-/m0/s1
InChIKeyNZOQGWBSDAFOAB-INIZCTEOSA-N
MW351.42 g/mol
LogP4.28
Rot. Bonds5

About (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine

(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 95539312) has the molecular formula C19H24F3N3 and a molecular weight of 351.42 g/mol. Its IUPAC name is (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID95539312
Molecular FormulaC19H24F3N3
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESCn1ccnc1CN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H24F3N3/c1-24-11-9-23-18(24)14-25-10-3-5-16(13-25)8-7-15-4-2-6-17(12-15)19(20,21)22/h2,4,6,9,11-12,16H,3,5,7-8,10,13-14H2,1H3/t16-/m0/s1
InChIKeyNZOQGWBSDAFOAB-INIZCTEOSA-N
XLogP4.28
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 95558447
3-[[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridine
CID 56869553
(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
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45199047
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
CID 45228567
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95545428
4-[2-(2-methylimidazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 74244860
[(3R,5S)-1-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56857620

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (CID 95539312) is (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is Cn1ccnc1CN1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is NZOQGWBSDAFOAB-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24F3N3/c1-24-11-9-23-18(24)14-25-10-3-5-16(13-25)8-7-15-4-2-6-17(12-15)19(20,21)22/h2,4,6,9,11-12,16H,3,5,7-8,10,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 351.42 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 95539312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).