(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

C15H21F3N6 — CID 100733807

IUPAC(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)n1ncnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H21F3N6/c1-10(2)24-13(20-9-21-24)8-23-5-3-4-11(7-23)14-19-6-12(22-14)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyKIDKFFLPLPVEOO-NSHDSACASA-N
MW342.37 g/mol
LogP2.98
Rot. Bonds4

About (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine

(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (PubChem CID 100733807) has the molecular formula C15H21F3N6 and a molecular weight of 342.37 g/mol. Its IUPAC name is (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.

Molecular Properties

Compound Name(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
PubChem CID100733807
Molecular FormulaC15H21F3N6
Molecular Weight342.37 g/mol
Exact Mass342.18
IUPAC Name(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
SMILESCC(C)n1ncnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C15H21F3N6/c1-10(2)24-13(20-9-21-24)8-23-5-3-4-11(7-23)14-19-6-12(22-14)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyKIDKFFLPLPVEOO-NSHDSACASA-N
XLogP2.98
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidine
CID 129623994
(1S)-N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 164632025
1-propan-2-yl-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 129227665
1-(2,2-difluoropropyl)-3-methyl-5-(2-methyl-1H-imidazol-5-yl)-1,2,4-triazole;ethene
CID 144159844
2-propan-2-yl-5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 71913734
(1S)-1-[3-cyclopropyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-2-(1H-imidazol-4-yl)ethanamine
CID 72854265
1-[(1-propylpyrazol-4-yl)methyl]-4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 75496981
2-(1H-imidazol-5-yl)-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
CID 81253748
2,5-dimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 100664258
2,5-dimethyl-3-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyrazine
CID 100664273
8-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 100664510
8-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 100664525

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The IUPAC name of (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine (CID 100733807) is (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine.
What is the SMILES notation for (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The canonical SMILES for (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is CC(C)n1ncnc1CN1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
The InChIKey is KIDKFFLPLPVEOO-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N6/c1-10(2)24-13(20-9-21-24)8-23-5-3-4-11(7-23)14-19-6-12(22-14)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine?
(3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine has a molecular weight of 342.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine is sourced from PubChem (CID 100733807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).