(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one

C15H26F3NO — CID 71102054

IUPAC(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
SMILESC[C@H](C1CCN(C(=O)[C@H](C)C(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C15H26F3NO/c1-10(14(3,4)5)12-6-8-19(9-7-12)13(20)11(2)15(16,17)18/h10-12H,6-9H2,1-5H3/t10-,11+/m1/s1
InChIKeyUHNVWVWIJVBNFS-MNOVXSKESA-N
MW293.37 g/mol
LogP4.11
Rot. Bonds2

About (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one

(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one (PubChem CID 71102054) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
PubChem CID71102054
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one
SMILESC[C@H](C1CCN(C(=O)[C@H](C)C(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C15H26F3NO/c1-10(14(3,4)5)12-6-8-19(9-7-12)13(20)11(2)15(16,17)18/h10-12H,6-9H2,1-5H3/t10-,11+/m1/s1
InChIKeyUHNVWVWIJVBNFS-MNOVXSKESA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one?
The IUPAC name of (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one (CID 71102054) is (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one?
The canonical SMILES for (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one is C[C@H](C1CCN(C(=O)[C@H](C)C(F)(F)F)CC1)C(C)(C)C.
What is the InChIKey of (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one?
The InChIKey is UHNVWVWIJVBNFS-MNOVXSKESA-N. The full InChI is InChI=1S/C15H26F3NO/c1-10(14(3,4)5)12-6-8-19(9-7-12)13(20)11(2)15(16,17)18/h10-12H,6-9H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one?
(2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[(2R)-3,3-dimethylbutan-2-yl]piperidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one is sourced from PubChem (CID 71102054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).