morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate

C16H21F2N3O3 — CID 42634521

IUPACmorpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
SMILESO=C(OCC1COCCN1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H21F2N3O3/c17-12-1-2-15(14(18)9-12)20-4-6-21(7-5-20)16(22)24-11-13-10-23-8-3-19-13/h1-2,9,13,19H,3-8,10-11H2
InChIKeyFYMLVXCJPKAAIY-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.21
Rot. Bonds3

About morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate

morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate (PubChem CID 42634521) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemorpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
PubChem CID42634521
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Namemorpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate
SMILESO=C(OCC1COCCN1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C16H21F2N3O3/c17-12-1-2-15(14(18)9-12)20-4-6-21(7-5-20)16(22)24-11-13-10-23-8-3-19-13/h1-2,9,13,19H,3-8,10-11H2
InChIKeyFYMLVXCJPKAAIY-UHFFFAOYSA-N
XLogP1.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
The IUPAC name of morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate (CID 42634521) is morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate is O=C(OCC1COCCN1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
The InChIKey is FYMLVXCJPKAAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c17-12-1-2-15(14(18)9-12)20-4-6-21(7-5-20)16(22)24-11-13-10-23-8-3-19-13/h1-2,9,13,19H,3-8,10-11H2.
What are the key properties of morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate?
morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate has a molecular weight of 341.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-3-ylmethyl 4-(2,4-difluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 42634521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).