ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine

C17H26F3NO — CID 176552586

IUPACethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
SMILESCC.CC(C)C1CCN(c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO.C2H6/c1-11(2)12-7-9-19(10-8-12)13-5-3-4-6-14(13)20-15(16,17)18;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3
InChIKeyBUAZPNXREOBBNK-UHFFFAOYSA-N
MW317.40 g/mol
LogP5.48
Rot. Bonds3

About ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine

ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine (PubChem CID 176552586) has the molecular formula C17H26F3NO and a molecular weight of 317.40 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
PubChem CID176552586
Molecular FormulaC17H26F3NO
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Nameethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
SMILESCC.CC(C)C1CCN(c2ccccc2OC(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO.C2H6/c1-11(2)12-7-9-19(10-8-12)13-5-3-4-6-14(13)20-15(16,17)18;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3
InChIKeyBUAZPNXREOBBNK-UHFFFAOYSA-N
XLogP5.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
2-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 154695458
1-methylpiperidin-4-ol;1-[2-(trifluoromethoxy)phenyl]pyrrolidine
CID 157039254
3-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943487
N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512722
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
CID 103498594
(2R,3R)-4-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]ethyl]butanamide
CID 58751870
3-propyl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943289
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
methyl 2,4-dimethyl-5-[[1-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]amino]benzoate
CID 134493329
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine?
The IUPAC name of ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine (CID 176552586) is ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine.
What is the SMILES notation for ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine?
The canonical SMILES for ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine is CC.CC(C)C1CCN(c2ccccc2OC(F)(F)F)CC1.
What is the InChIKey of ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine?
The InChIKey is BUAZPNXREOBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO.C2H6/c1-11(2)12-7-9-19(10-8-12)13-5-3-4-6-14(13)20-15(16,17)18;1-2/h3-6,11-12H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine?
ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine has a molecular weight of 317.40 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine is sourced from PubChem (CID 176552586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).