morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid

C11H18F3N3O4 — CID 67764465

IUPACmorpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1CCNCC1)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17N3O2.C2HF3O2/c13-9(11-3-1-10-2-4-11)12-5-7-14-8-6-12;3-2(4,5)1(6)7/h10H,1-8H2;(H,6,7)
InChIKeyBFPIHFAKMRVJMN-UHFFFAOYSA-N
MW313.28 g/mol
LogP-0.02
Rot. Bonds

About morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid

morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 67764465) has the molecular formula C11H18F3N3O4 and a molecular weight of 313.28 g/mol. Its IUPAC name is morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemorpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID67764465
Molecular FormulaC11H18F3N3O4
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Namemorpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1CCNCC1)N1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H17N3O2.C2HF3O2/c13-9(11-3-1-10-2-4-11)12-5-7-14-8-6-12;3-2(4,5)1(6)7/h10H,1-8H2;(H,6,7)
InChIKeyBFPIHFAKMRVJMN-UHFFFAOYSA-N
XLogP-0.02
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 67764465) is morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid is O=C(N1CCNCC1)N1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is BFPIHFAKMRVJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.C2HF3O2/c13-9(11-3-1-10-2-4-11)12-5-7-14-8-6-12;3-2(4,5)1(6)7/h10H,1-8H2;(H,6,7).
What are the key properties of morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid?
morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 313.28 g/mol, XLogP of -0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(piperazin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67764465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).