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

C18H22N6 — CID 154785087

IUPAC1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCc1cnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)[nH]1
InChIInChI=1S/C18H22N6/c1-13-11-19-16(20-13)12-24-9-7-15(8-10-24)18-21-17(22-23-18)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyXXGOCALEFYXMKD-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.88
Rot. Bonds4

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

1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 154785087) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
PubChem CID154785087
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
SMILESCc1cnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)[nH]1
InChIInChI=1S/C18H22N6/c1-13-11-19-16(20-13)12-24-9-7-15(8-10-24)18-21-17(22-23-18)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)(H,21,22,23)
InChIKeyXXGOCALEFYXMKD-UHFFFAOYSA-N
XLogP2.88
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine (CID 154785087) is 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is Cc1cnc(CN2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)[nH]1.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is XXGOCALEFYXMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-11-19-16(20-13)12-24-9-7-15(8-10-24)18-21-17(22-23-18)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,19,20)(H,21,22,23).
What are the key properties of 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine?
1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 322.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-2-yl)methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 154785087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).