1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate

C19H23F6N3O3 — CID 175136175

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2ccccc2)C2COCCN2)CC1
InChIInChI=1S/C19H23F6N3O3/c20-18(21,22)16(19(23,24)25)31-17(29)28-9-7-27(8-10-28)15(13-4-2-1-3-5-13)14-12-30-11-6-26-14/h1-5,14-16,26H,6-12H2
InChIKeyRXRPLUFXXRMLQI-UHFFFAOYSA-N
MW455.40 g/mol
LogP2.96
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate (PubChem CID 175136175) has the molecular formula C19H23F6N3O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate
PubChem CID175136175
Molecular FormulaC19H23F6N3O3
Molecular Weight455.40 g/mol
Exact Mass455.16
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2ccccc2)C2COCCN2)CC1
InChIInChI=1S/C19H23F6N3O3/c20-18(21,22)16(19(23,24)25)31-17(29)28-9-7-27(8-10-28)15(13-4-2-1-3-5-13)14-12-30-11-6-26-14/h1-5,14-16,26H,6-12H2
InChIKeyRXRPLUFXXRMLQI-UHFFFAOYSA-N
XLogP2.96
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate (CID 175136175) is 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(C(c2ccccc2)C2COCCN2)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate?
The InChIKey is RXRPLUFXXRMLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F6N3O3/c20-18(21,22)16(19(23,24)25)31-17(29)28-9-7-27(8-10-28)15(13-4-2-1-3-5-13)14-12-30-11-6-26-14/h1-5,14-16,26H,6-12H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate has a molecular weight of 455.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 4-[morpholin-3-yl(phenyl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 175136175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).