4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

C13H15F6N3O5 — CID 146155422

IUPAC4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1(c2cncnc2)CCNCC1
InChIInChI=1S/C9H13N3O.2C2HF3O2/c13-9(1-3-10-4-2-9)8-5-11-7-12-6-8;2*3-2(4,5)1(6)7/h5-7,10,13H,1-4H2;2*(H,6,7)
InChIKeyKZRXHXLVIGZXGI-UHFFFAOYSA-N
MW407.27 g/mol
LogP1.31
Rot. Bonds1

About 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 146155422) has the molecular formula C13H15F6N3O5 and a molecular weight of 407.27 g/mol. Its IUPAC name is 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
PubChem CID146155422
Molecular FormulaC13H15F6N3O5
Molecular Weight407.27 g/mol
Exact Mass407.09
IUPAC Name4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1(c2cncnc2)CCNCC1
InChIInChI=1S/C9H13N3O.2C2HF3O2/c13-9(1-3-10-4-2-9)8-5-11-7-12-6-8;2*3-2(4,5)1(6)7/h5-7,10,13H,1-4H2;2*(H,6,7)
InChIKeyKZRXHXLVIGZXGI-UHFFFAOYSA-N
XLogP1.31
TPSA132.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (CID 146155422) is 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1(c2cncnc2)CCNCC1.
What is the InChIKey of 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is KZRXHXLVIGZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.2C2HF3O2/c13-9(1-3-10-4-2-9)8-5-11-7-12-6-8;2*3-2(4,5)1(6)7/h5-7,10,13H,1-4H2;2*(H,6,7).
What are the key properties of 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 407.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 146155422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).