(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine

C18H21FN6 — CID 29170107

IUPAC(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine
SMILESFc1ccc(-c2cn(C[C@@H]3CCCN(Cc4ncc[nH]4)C3)nn2)cc1
InChIInChI=1S/C18H21FN6/c19-16-5-3-15(4-6-16)17-12-25(23-22-17)11-14-2-1-9-24(10-14)13-18-20-7-8-21-18/h3-8,12,14H,1-2,9-11,13H2,(H,20,21)/t14-/m1/s1
InChIKeyZVGWWJHDBZTMIZ-CQSZACIVSA-N
MW340.41 g/mol
LogP2.72
Rot. Bonds5

About (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine

(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine (PubChem CID 29170107) has the molecular formula C18H21FN6 and a molecular weight of 340.41 g/mol. Its IUPAC name is (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine.

Molecular Properties

Compound Name(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine
PubChem CID29170107
Molecular FormulaC18H21FN6
Molecular Weight340.41 g/mol
Exact Mass340.18
IUPAC Name(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine
SMILESFc1ccc(-c2cn(C[C@@H]3CCCN(Cc4ncc[nH]4)C3)nn2)cc1
InChIInChI=1S/C18H21FN6/c19-16-5-3-15(4-6-16)17-12-25(23-22-17)11-14-2-1-9-24(10-14)13-18-20-7-8-21-18/h3-8,12,14H,1-2,9-11,13H2,(H,20,21)/t14-/m1/s1
InChIKeyZVGWWJHDBZTMIZ-CQSZACIVSA-N
XLogP2.72
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-cyclohexyltriazol-1-yl)methyl]-1-(1H-imidazol-2-ylmethyl)piperidine;bis(2,2,2-trifluoroacetic acid)
CID 154887073
(3S)-1-[(4-fluorophenyl)methyl]-3-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine
CID 31135460
2-[1-[[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
CID 45205228
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
2-[[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methyl]-6-methylpyridine
CID 110095075
2-(4-fluorophenyl)-5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
CID 24734047
4-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]pyrimidine
CID 124961155
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
CID 42529056
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
2-[1-[[(3R)-1-[(2,3-dimethylimidazol-4-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]pyridine
CID 29025684
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95542964
[1-[[(3S)-1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-3-yl]methyl]triazol-4-yl]methanol
CID 28737834

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine?
The IUPAC name of (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine (CID 29170107) is (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine.
What is the SMILES notation for (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine?
The canonical SMILES for (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine is Fc1ccc(-c2cn(C[C@@H]3CCCN(Cc4ncc[nH]4)C3)nn2)cc1.
What is the InChIKey of (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine?
The InChIKey is ZVGWWJHDBZTMIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN6/c19-16-5-3-15(4-6-16)17-12-25(23-22-17)11-14-2-1-9-24(10-14)13-18-20-7-8-21-18/h3-8,12,14H,1-2,9-11,13H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine?
(3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine has a molecular weight of 340.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(4-fluorophenyl)triazol-1-yl]methyl]-1-(1H-imidazol-2-ylmethyl)piperidine is sourced from PubChem (CID 29170107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).