acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

C15H20F3NO3 — CID 174644977

IUPACacetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCC(=O)O.FC(F)(F)Oc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C13H16F3NO.C2H4O2/c14-13(15,16)18-12-6-4-10(5-7-12)9-11-3-1-2-8-17-11;1-2(3)4/h4-7,11,17H,1-3,8-9H2;1H3,(H,3,4)
InChIKeyUMWLBEQQVVTDKV-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.36
Rot. Bonds3

About acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine

acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 174644977) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Nameacetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID174644977
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Nameacetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCC(=O)O.FC(F)(F)Oc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C13H16F3NO.C2H4O2/c14-13(15,16)18-12-6-4-10(5-7-12)9-11-3-1-2-8-17-11;1-2(3)4/h4-7,11,17H,1-3,8-9H2;1H3,(H,3,4)
InChIKeyUMWLBEQQVVTDKV-UHFFFAOYSA-N
XLogP3.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 174645076
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
(2S)-2-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidine
CID 69002528
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-[[4-(2-methoxyethyl)phenyl]methyl]piperidine
CID 117339226
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
1-(7-bicyclo[4.1.0]heptanyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 114968084
2-[[4-(thietan-3-yloxy)phenyl]methyl]piperidine
CID 117413830
2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine (CID 174644977) is acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is CC(=O)O.FC(F)(F)Oc1ccc(CC2CCCCN2)cc1.
What is the InChIKey of acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is UMWLBEQQVVTDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO.C2H4O2/c14-13(15,16)18-12-6-4-10(5-7-12)9-11-3-1-2-8-17-11;1-2(3)4/h4-7,11,17H,1-3,8-9H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine?
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 319.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 174644977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).