[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

C15H26F3N3O2 — CID 95350264

IUPAC[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3N3O2/c1-12(22)10-19-6-8-21(9-7-19)14(23)13-2-4-20(5-3-13)11-15(16,17)18/h12-13,22H,2-11H2,1H3/t12-/m1/s1
InChIKeyOUXRGNQOWKRMBA-GFCCVEGCSA-N
MW337.39 g/mol
LogP0.79
Rot. Bonds4

About [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone

[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (PubChem CID 95350264) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
PubChem CID95350264
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
SMILESC[C@@H](O)CN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1
InChIInChI=1S/C15H26F3N3O2/c1-12(22)10-19-6-8-21(9-7-19)14(23)13-2-4-20(5-3-13)11-15(16,17)18/h12-13,22H,2-11H2,1H3/t12-/m1/s1
InChIKeyOUXRGNQOWKRMBA-GFCCVEGCSA-N
XLogP0.79
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone (CID 95350264) is [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is C[C@@H](O)CN1CCN(C(=O)C2CCN(CC(F)(F)F)CC2)CC1.
What is the InChIKey of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
The InChIKey is OUXRGNQOWKRMBA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-12(22)10-19-6-8-21(9-7-19)14(23)13-2-4-20(5-3-13)11-15(16,17)18/h12-13,22H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone?
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone has a molecular weight of 337.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 95350264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).