1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

C16H20F3NO2 — CID 10852816

IUPAC1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)N1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-15(22,16(17,18)19)14(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h2-6,13,22H,7-11H2,1H3
InChIKeyPRRDZNDKWXWTAQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.78
Rot. Bonds3

About 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one

1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (PubChem CID 10852816) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
PubChem CID10852816
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
SMILESCC(O)(C(=O)N1CCC(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C16H20F3NO2/c1-15(22,16(17,18)19)14(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h2-6,13,22H,7-11H2,1H3
InChIKeyPRRDZNDKWXWTAQ-UHFFFAOYSA-N
XLogP2.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

AI3-37157
CID 760213
AI3-37156
CID 897567
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2-Oxo-2-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)acetic acid
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(2R)-1-[(2S,5R)-4-benzyl-2,5-dimethylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10759867
1-(4-Benzylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 897795
1-(4-Benzylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 1546818
SMARt751
CID 90254017
(4-Benzylpiperidin-1-yl)oxoacetic acid
CID 16110264
1-(4-Benzylpiperidin-1-yl)-2-ethoxyethanone
CID 2163066
(2R)-1-[(3R)-4-benzyl-3-methylpiperazin-1-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 10687855
(4-Benzylpiperidin-1-yl)-(1-hydroxycyclopropyl)methanone
CID 10611311

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one (CID 10852816) is 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is CC(O)(C(=O)N1CCC(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
The InChIKey is PRRDZNDKWXWTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-15(22,16(17,18)19)14(21)20-9-7-13(8-10-20)11-12-5-3-2-4-6-12/h2-6,13,22H,7-11H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one?
1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one has a molecular weight of 315.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 10852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).