ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one

C17H24F3NO — CID 142379007

IUPACethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
SMILESCC.CC(=O)CC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3NO.C2H6/c1-11(20)10-12-6-8-19(9-7-12)14-4-2-13(3-5-14)15(16,17)18;1-2/h2-5,12H,6-10H2,1H3;1-2H3
InChIKeyASQHNJJXYHLOMU-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.93
Rot. Bonds3

About ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one

ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one (PubChem CID 142379007) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Nameethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
PubChem CID142379007
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Nameethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one
SMILESCC.CC(=O)CC1CCN(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C15H18F3NO.C2H6/c1-11(20)10-12-6-8-19(9-7-12)14-4-2-13(3-5-14)15(16,17)18;1-2/h2-5,12H,6-10H2,1H3;1-2H3
InChIKeyASQHNJJXYHLOMU-UHFFFAOYSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl N-tert-butylcarbamate
CID 174605305
3-(2-bromoethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 114800769
4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
CID 70873700
N-(2-oxo-3H-1-benzofuran-6-yl)-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
CID 58350640
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 18725667
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
4-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]aniline
CID 156774748
6-oxo-N-[[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
CID 25259629
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
1-(1-tritylpiperidin-4-yl)propan-2-one
CID 20685215

Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one?
The IUPAC name of ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one (CID 142379007) is ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one?
The canonical SMILES for ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one is CC.CC(=O)CC1CCN(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one?
The InChIKey is ASQHNJJXYHLOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO.C2H6/c1-11(20)10-12-6-8-19(9-7-12)14-4-2-13(3-5-14)15(16,17)18;1-2/h2-5,12H,6-10H2,1H3;1-2H3.
What are the key properties of ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one?
ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one has a molecular weight of 315.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 142379007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).