1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine

C14H19F3N6 — CID 128978577

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCn1cnnc1CN1CCCC(c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C14H19F3N6/c1-21-7-11(14(15,16)17)19-13(21)10-4-3-5-23(6-10)8-12-20-18-9-22(12)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyJHUMDGJJGBXJPQ-UHFFFAOYSA-N
MW328.34 g/mol
LogP1.95
Rot. Bonds3

About 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (PubChem CID 128978577) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
PubChem CID128978577
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine
SMILESCn1cnnc1CN1CCCC(c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C14H19F3N6/c1-21-7-11(14(15,16)17)19-13(21)10-4-3-5-23(6-10)8-12-20-18-9-22(12)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyJHUMDGJJGBXJPQ-UHFFFAOYSA-N
XLogP1.95
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-5-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 128978588
5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 129351271
N-[2-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]ethyl]methanesulfonamide
CID 154739693
4-[(3R)-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]benzoic acid
CID 97201831
8-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 128977583
2-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]pyrimidine
CID 129351066
2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]ethanol
CID 112734344
3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-1-(oxetan-3-ylsulfonyl)piperidine
CID 154795526
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244
(1-methylpyrazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 129346418
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 166606235

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine (CID 128978577) is 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is Cn1cnnc1CN1CCCC(c2nc(C(F)(F)F)cn2C)C1.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
The InChIKey is JHUMDGJJGBXJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-21-7-11(14(15,16)17)19-13(21)10-4-3-5-23(6-10)8-12-20-18-9-22(12)2/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine?
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine has a molecular weight of 328.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidine is sourced from PubChem (CID 128978577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).