(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine

C18H22F3N3 — CID 95542964

IUPAC(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C18H22F3N3/c19-18(20,21)16-5-1-3-14(11-16)6-7-15-4-2-10-24(12-15)13-17-22-8-9-23-17/h1,3,5,8-9,11,15H,2,4,6-7,10,12-13H2,(H,22,23)/t15-/m0/s1
InChIKeyKZNDHRIFEROQJX-HNNXBMFYSA-N
MW337.39 g/mol
LogP4.27
Rot. Bonds5

About (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine

(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (PubChem CID 95542964) has the molecular formula C18H22F3N3 and a molecular weight of 337.39 g/mol. Its IUPAC name is (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.

Molecular Properties

Compound Name(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
PubChem CID95542964
Molecular FormulaC18H22F3N3
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
SMILESFC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C18H22F3N3/c19-18(20,21)16-5-1-3-14(11-16)6-7-15-4-2-10-24(12-15)13-17-22-8-9-23-17/h1,3,5,8-9,11,15H,2,4,6-7,10,12-13H2,(H,22,23)/t15-/m0/s1
InChIKeyKZNDHRIFEROQJX-HNNXBMFYSA-N
XLogP4.27
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
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
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
CID 42529056
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]-1H-imidazole-2-carboxamide
CID 97278455
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
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
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The IUPAC name of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine (CID 95542964) is (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine.
What is the SMILES notation for (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The canonical SMILES for (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is FC(F)(F)c1cccc(CC[C@@H]2CCCN(Cc3ncc[nH]3)C2)c1.
What is the InChIKey of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
The InChIKey is KZNDHRIFEROQJX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22F3N3/c19-18(20,21)16-5-1-3-14(11-16)6-7-15-4-2-10-24(12-15)13-17-22-8-9-23-17/h1,3,5,8-9,11,15H,2,4,6-7,10,12-13H2,(H,22,23)/t15-/m0/s1.
What are the key properties of (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine?
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine has a molecular weight of 337.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine is sourced from PubChem (CID 95542964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).