1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one

C10H16F3NO2 — CID 155262198

IUPAC1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESC[C@@H]1CN(C(=O)C(O)C(F)(F)F)CC[C@@H]1C
InChIInChI=1S/C10H16F3NO2/c1-6-3-4-14(5-7(6)2)9(16)8(15)10(11,12)13/h6-8,15H,3-5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyJEOVZXJKJUNXEU-KJFJCRTCSA-N
MW239.24 g/mol
LogP1.41
Rot. Bonds1

About 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one

1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one (PubChem CID 155262198) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
PubChem CID155262198
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one
SMILESC[C@@H]1CN(C(=O)C(O)C(F)(F)F)CC[C@@H]1C
InChIInChI=1S/C10H16F3NO2/c1-6-3-4-14(5-7(6)2)9(16)8(15)10(11,12)13/h6-8,15H,3-5H2,1-2H3/t6-,7+,8?/m0/s1
InChIKeyJEOVZXJKJUNXEU-KJFJCRTCSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
The IUPAC name of 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one (CID 155262198) is 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
The canonical SMILES for 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one is C[C@@H]1CN(C(=O)C(O)C(F)(F)F)CC[C@@H]1C.
What is the InChIKey of 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
The InChIKey is JEOVZXJKJUNXEU-KJFJCRTCSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6-3-4-14(5-7(6)2)9(16)8(15)10(11,12)13/h6-8,15H,3-5H2,1-2H3/t6-,7+,8?/m0/s1.
What are the key properties of 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one?
1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one has a molecular weight of 239.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3,4-dimethylpiperidin-1-yl]-3,3,3-trifluoro-2-hydroxypropan-1-one is sourced from PubChem (CID 155262198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).