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

C18H22N6 — CID 124874625

IUPAC(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESC[C@@H]1CCN(Cc2ncnn2-c2ccccc2)C[C@@H]1n1ccnc1
InChIInChI=1S/C18H22N6/c1-15-7-9-22(11-17(15)23-10-8-19-14-23)12-18-20-13-21-24(18)16-5-3-2-4-6-16/h2-6,8,10,13-15,17H,7,9,11-12H2,1H3/t15-,17+/m1/s1
InChIKeySPGRBYHMIVNJFD-WBVHZDCISA-N
MW322.42 g/mol
LogP2.55
Rot. Bonds4

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

(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine (PubChem CID 124874625) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
PubChem CID124874625
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine
SMILESC[C@@H]1CCN(Cc2ncnn2-c2ccccc2)C[C@@H]1n1ccnc1
InChIInChI=1S/C18H22N6/c1-15-7-9-22(11-17(15)23-10-8-19-14-23)12-18-20-13-21-24(18)16-5-3-2-4-6-16/h2-6,8,10,13-15,17H,7,9,11-12H2,1H3/t15-,17+/m1/s1
InChIKeySPGRBYHMIVNJFD-WBVHZDCISA-N
XLogP2.55
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine with MolForge

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Related Compounds

(3S,4R)-1-[(1-benzylpyrazol-4-yl)methyl]-3-imidazol-1-yl-4-methylpiperidine
CID 124776982
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
2-[(3-imidazol-1-yl-4-methylpiperidin-1-yl)methyl]-3-methylquinazolin-4-one
CID 84593167
(3R,4S)-3-imidazol-1-yl-4-methyl-1-(2-phenylsulfanylethyl)piperidine
CID 97092565
(3S,4R)-3-imidazol-1-yl-4-methyl-1-(2-phenylsulfanylethyl)piperidine
CID 124784269
3-imidazol-1-yl-4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine
CID 75514660
3-imidazol-1-yl-4-methyl-1-[1-(1-phenyltetrazol-5-yl)ethyl]piperidine
CID 132969991
1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4-piperidin-4-ylpiperazine
CID 167853339
methyl 3-[[(3S,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methyl]thiophene-2-carboxylate
CID 98875034
4-(hydroxymethyl)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 166243082
1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
[(3S,4S)-3-imidazol-1-yl-4-methylpiperidin-1-yl]-(5-phenyl-2H-triazol-4-yl)methanone
CID 124627112

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
The IUPAC name of (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine (CID 124874625) is (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine.
What is the SMILES notation for (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
The canonical SMILES for (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine is C[C@@H]1CCN(Cc2ncnn2-c2ccccc2)C[C@@H]1n1ccnc1.
What is the InChIKey of (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
The InChIKey is SPGRBYHMIVNJFD-WBVHZDCISA-N. The full InChI is InChI=1S/C18H22N6/c1-15-7-9-22(11-17(15)23-10-8-19-14-23)12-18-20-13-21-24(18)16-5-3-2-4-6-16/h2-6,8,10,13-15,17H,7,9,11-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine?
(3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine has a molecular weight of 322.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-imidazol-1-yl-4-methyl-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]piperidine is sourced from PubChem (CID 124874625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).