1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one

C15H26F3N3O2 — CID 75507577

IUPAC1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-12(14(23)21-5-3-2-4-6-21)20-9-7-19(8-10-20)11-13(22)15(16,17)18/h12-13,22H,2-11H2,1H3
InChIKeySGYQECKFNZAFST-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.93
Rot. Bonds4

About 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one

1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one (PubChem CID 75507577) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one
PubChem CID75507577
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCN(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3O2/c1-12(14(23)21-5-3-2-4-6-21)20-9-7-19(8-10-20)11-13(22)15(16,17)18/h12-13,22H,2-11H2,1H3
InChIKeySGYQECKFNZAFST-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one (CID 75507577) is 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCCCC1)N1CCN(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one?
The InChIKey is SGYQECKFNZAFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-12(14(23)21-5-3-2-4-6-21)20-9-7-19(8-10-20)11-13(22)15(16,17)18/h12-13,22H,2-11H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one?
1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one has a molecular weight of 337.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75507577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).