(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine

C26H45F6N3O — CID 146632658

IUPAC(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine
SMILESCC(CC1CCCN(C(C)CC2CCCN(C(C)C)[C@@H]2C(F)(F)F)[C@H]1C(F)(F)F)N1CCO[C@H](C)C1
InChIInChI=1S/C26H45F6N3O/c1-17(2)34-10-6-8-22(23(34)25(27,28)29)15-19(4)35-11-7-9-21(24(35)26(30,31)32)14-18(3)33-12-13-36-20(5)16-33/h17-24H,6-16H2,1-5H3/t18?,19?,20-,21?,22?,23+,24-/m1/s1
InChIKeyYGJSXBJWPQLLDO-MDTSYDLRSA-N
MW529.65 g/mol
LogP5.96
Rot. Bonds7

About (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine

(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine (PubChem CID 146632658) has the molecular formula C26H45F6N3O and a molecular weight of 529.65 g/mol. Its IUPAC name is (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine
PubChem CID146632658
Molecular FormulaC26H45F6N3O
Molecular Weight529.65 g/mol
Exact Mass529.35
IUPAC Name(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine
SMILESCC(CC1CCCN(C(C)CC2CCCN(C(C)C)[C@@H]2C(F)(F)F)[C@H]1C(F)(F)F)N1CCO[C@H](C)C1
InChIInChI=1S/C26H45F6N3O/c1-17(2)34-10-6-8-22(23(34)25(27,28)29)15-19(4)35-11-7-9-21(24(35)26(30,31)32)14-18(3)33-12-13-36-20(5)16-33/h17-24H,6-16H2,1-5H3/t18?,19?,20-,21?,22?,23+,24-/m1/s1
InChIKeyYGJSXBJWPQLLDO-MDTSYDLRSA-N
XLogP5.96
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.65
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine?
The IUPAC name of (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine (CID 146632658) is (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine.
What is the SMILES notation for (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine?
The canonical SMILES for (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine is CC(CC1CCCN(C(C)CC2CCCN(C(C)C)[C@@H]2C(F)(F)F)[C@H]1C(F)(F)F)N1CCO[C@H](C)C1.
What is the InChIKey of (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine?
The InChIKey is YGJSXBJWPQLLDO-MDTSYDLRSA-N. The full InChI is InChI=1S/C26H45F6N3O/c1-17(2)34-10-6-8-22(23(34)25(27,28)29)15-19(4)35-11-7-9-21(24(35)26(30,31)32)14-18(3)33-12-13-36-20(5)16-33/h17-24H,6-16H2,1-5H3/t18?,19?,20-,21?,22?,23+,24-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine?
(2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine has a molecular weight of 529.65 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[1-[(2R)-1-[1-[(2S)-1-propan-2-yl-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]-2-(trifluoromethyl)piperidin-3-yl]propan-2-yl]morpholine is sourced from PubChem (CID 146632658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).