2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine

C16H25F3N4O — CID 122139898

IUPAC2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine
SMILESCC1CN(CCN2CCCC(n3ccc(C(F)(F)F)n3)C2)CCO1
InChIInChI=1S/C16H25F3N4O/c1-13-11-22(9-10-24-13)8-7-21-5-2-3-14(12-21)23-6-4-15(20-23)16(17,18)19/h4,6,13-14H,2-3,5,7-12H2,1H3
InChIKeyJYOWWKIEGDKKGA-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine

2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine (PubChem CID 122139898) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine
PubChem CID122139898
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine
SMILESCC1CN(CCN2CCCC(n3ccc(C(F)(F)F)n3)C2)CCO1
InChIInChI=1S/C16H25F3N4O/c1-13-11-22(9-10-24-13)8-7-21-5-2-3-14(12-21)23-6-4-15(20-23)16(17,18)19/h4,6,13-14H,2-3,5,7-12H2,1H3
InChIKeyJYOWWKIEGDKKGA-UHFFFAOYSA-N
XLogP2.26
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine?
The IUPAC name of 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine (CID 122139898) is 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine.
What is the SMILES notation for 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine?
The canonical SMILES for 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine is CC1CN(CCN2CCCC(n3ccc(C(F)(F)F)n3)C2)CCO1.
What is the InChIKey of 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine?
The InChIKey is JYOWWKIEGDKKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-13-11-22(9-10-24-13)8-7-21-5-2-3-14(12-21)23-6-4-15(20-23)16(17,18)19/h4,6,13-14H,2-3,5,7-12H2,1H3.
What are the key properties of 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine?
2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine has a molecular weight of 346.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethyl]morpholine is sourced from PubChem (CID 122139898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).