1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

C20H36N6 — CID 72918299

IUPAC1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C)CC1
InChIInChI=1S/C20H36N6/c1-23-12-14-25(15-13-23)16-19-21-22-20(24(19)2)17-8-10-26(11-9-17)18-6-4-3-5-7-18/h17-18H,3-16H2,1-2H3
InChIKeyIYUYWUZQQSTLSA-UHFFFAOYSA-N
MW360.55 g/mol
LogP2.07
Rot. Bonds4

About 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (PubChem CID 72918299) has the molecular formula C20H36N6 and a molecular weight of 360.55 g/mol. Its IUPAC name is 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
PubChem CID72918299
Molecular FormulaC20H36N6
Molecular Weight360.55 g/mol
Exact Mass360.30
IUPAC Name1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C)CC1
InChIInChI=1S/C20H36N6/c1-23-12-14-25(15-13-23)16-19-21-22-20(24(19)2)17-8-10-26(11-9-17)18-6-4-3-5-7-18/h17-18H,3-16H2,1-2H3
InChIKeyIYUYWUZQQSTLSA-UHFFFAOYSA-N
XLogP2.07
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (CID 72918299) is 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2nnc(C3CCN(C4CCCCC4)CC3)n2C)CC1.
What is the InChIKey of 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is IYUYWUZQQSTLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6/c1-23-12-14-25(15-13-23)16-19-21-22-20(24(19)2)17-8-10-26(11-9-17)18-6-4-3-5-7-18/h17-18H,3-16H2,1-2H3.
What are the key properties of 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 360.55 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-cyclohexylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 72918299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).