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

C18H28N6 — CID 72866892

IUPAC1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
SMILESCn1c(Cn2ccnc2)nnc1C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C18H28N6/c1-22-17(13-23-11-9-19-14-23)20-21-18(22)15-6-5-10-24(12-15)16-7-3-2-4-8-16/h9,11,14-16H,2-8,10,12-13H2,1H3
InChIKeyGHOBTEKTCSTWRK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.57
Rot. Bonds4

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

1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine (PubChem CID 72866892) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
PubChem CID72866892
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine
SMILESCn1c(Cn2ccnc2)nnc1C1CCCN(C2CCCCC2)C1
InChIInChI=1S/C18H28N6/c1-22-17(13-23-11-9-19-14-23)20-21-18(22)15-6-5-10-24(12-15)16-7-3-2-4-8-16/h9,11,14-16H,2-8,10,12-13H2,1H3
InChIKeyGHOBTEKTCSTWRK-UHFFFAOYSA-N
XLogP2.57
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine (CID 72866892) is 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine is Cn1c(Cn2ccnc2)nnc1C1CCCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine?
The InChIKey is GHOBTEKTCSTWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-22-17(13-23-11-9-19-14-23)20-21-18(22)15-6-5-10-24(12-15)16-7-3-2-4-8-16/h9,11,14-16H,2-8,10,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine?
1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine has a molecular weight of 328.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 72866892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).