1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine

C18H27N7 — CID 31125383

IUPAC1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine
SMILESCc1cc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)ccn1
InChIInChI=1S/C18H27N7/c1-15-12-18(2-5-20-15)24-8-3-17(4-9-24)25-14-16(21-22-25)13-23-10-6-19-7-11-23/h2,5,12,14,17,19H,3-4,6-11,13H2,1H3
InChIKeyBOUAEHRFYPYSLC-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.23
Rot. Bonds4

About 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine

1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine (PubChem CID 31125383) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine
PubChem CID31125383
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine
SMILESCc1cc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)ccn1
InChIInChI=1S/C18H27N7/c1-15-12-18(2-5-20-15)24-8-3-17(4-9-24)25-14-16(21-22-25)13-23-10-6-19-7-11-23/h2,5,12,14,17,19H,3-4,6-11,13H2,1H3
InChIKeyBOUAEHRFYPYSLC-UHFFFAOYSA-N
XLogP1.23
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine (CID 31125383) is 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine is Cc1cc(N2CCC(n3cc(CN4CCNCC4)nn3)CC2)ccn1.
What is the InChIKey of 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine?
The InChIKey is BOUAEHRFYPYSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-15-12-18(2-5-20-15)24-8-3-17(4-9-24)25-14-16(21-22-25)13-23-10-6-19-7-11-23/h2,5,12,14,17,19H,3-4,6-11,13H2,1H3.
What are the key properties of 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine?
1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine has a molecular weight of 341.46 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]triazol-4-yl]methyl]piperazine is sourced from PubChem (CID 31125383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).