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

C17H32N6O — CID 70718347

IUPAC2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C17H32N6O/c1-17(2,18)13-23-6-4-14(5-7-23)16-20-19-15(21(16)3)12-22-8-10-24-11-9-22/h14H,4-13,18H2,1-3H3
InChIKeyCJHSUMRCHQOTSU-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.56
Rot. Bonds5

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

2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine (PubChem CID 70718347) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine
PubChem CID70718347
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC Name2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(CC(C)(C)N)CC1
InChIInChI=1S/C17H32N6O/c1-17(2,18)13-23-6-4-14(5-7-23)16-20-19-15(21(16)3)12-22-8-10-24-11-9-22/h14H,4-13,18H2,1-3H3
InChIKeyCJHSUMRCHQOTSU-UHFFFAOYSA-N
XLogP0.56
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine (CID 70718347) is 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine is Cn1c(CN2CCOCC2)nnc1C1CCN(CC(C)(C)N)CC1.
What is the InChIKey of 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine?
The InChIKey is CJHSUMRCHQOTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-17(2,18)13-23-6-4-14(5-7-23)16-20-19-15(21(16)3)12-22-8-10-24-11-9-22/h14H,4-13,18H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine?
2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine has a molecular weight of 336.48 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propan-2-amine is sourced from PubChem (CID 70718347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).