2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine

C15H28N6O — CID 70736528

IUPAC2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(CCN)CC1
InChIInChI=1S/C15H28N6O/c1-19-14(12-21-8-10-22-11-9-21)17-18-15(19)13-2-5-20(6-3-13)7-4-16/h13H,2-12,16H2,1H3
InChIKeyKOSCWWDXFCEGLI-UHFFFAOYSA-N
MW308.43 g/mol
LogP-0.21
Rot. Bonds5

About 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine

2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine (PubChem CID 70736528) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
PubChem CID70736528
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(CCN)CC1
InChIInChI=1S/C15H28N6O/c1-19-14(12-21-8-10-22-11-9-21)17-18-15(19)13-2-5-20(6-3-13)7-4-16/h13H,2-12,16H2,1H3
InChIKeyKOSCWWDXFCEGLI-UHFFFAOYSA-N
XLogP-0.21
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine (CID 70736528) is 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine is Cn1c(CN2CCOCC2)nnc1C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
The InChIKey is KOSCWWDXFCEGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-19-14(12-21-8-10-22-11-9-21)17-18-15(19)13-2-5-20(6-3-13)7-4-16/h13H,2-12,16H2,1H3.
What are the key properties of 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine?
2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine has a molecular weight of 308.43 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 70736528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).