4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

C16H26F3N5O — CID 70716883

IUPAC4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C16H26F3N5O/c1-22-14(12-24-7-9-25-10-8-24)20-21-15(22)13-3-2-5-23(11-13)6-4-16(17,18)19/h13H,2-12H2,1H3
InChIKeyCRFGWGRUSYYZQY-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.78
Rot. Bonds5

About 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine

4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 70716883) has the molecular formula C16H26F3N5O and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID70716883
Molecular FormulaC16H26F3N5O
Molecular Weight361.41 g/mol
Exact Mass361.21
IUPAC Name4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(CCC(F)(F)F)C1
InChIInChI=1S/C16H26F3N5O/c1-22-14(12-24-7-9-25-10-8-24)20-21-15(22)13-3-2-5-23(11-13)6-4-16(17,18)19/h13H,2-12H2,1H3
InChIKeyCRFGWGRUSYYZQY-UHFFFAOYSA-N
XLogP1.78
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 70716883) is 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cn1c(CN2CCOCC2)nnc1C1CCCN(CCC(F)(F)F)C1.
What is the InChIKey of 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is CRFGWGRUSYYZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N5O/c1-22-14(12-24-7-9-25-10-8-24)20-21-15(22)13-3-2-5-23(11-13)6-4-16(17,18)19/h13H,2-12H2,1H3.
What are the key properties of 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 361.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 70716883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).