2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine

C14H18F3NO — CID 117051326

IUPAC2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCC(Oc1ccc(C(F)(F)F)cc1)C1CCCCN1
InChIInChI=1S/C14H18F3NO/c1-10(13-4-2-3-9-18-13)19-12-7-5-11(6-8-12)14(15,16)17/h5-8,10,13,18H,2-4,9H2,1H3
InChIKeyUNACLPZKETYQPW-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.61
Rot. Bonds3

About 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine

2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 117051326) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID117051326
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCC(Oc1ccc(C(F)(F)F)cc1)C1CCCCN1
InChIInChI=1S/C14H18F3NO/c1-10(13-4-2-3-9-18-13)19-12-7-5-11(6-8-12)14(15,16)17/h5-8,10,13,18H,2-4,9H2,1H3
InChIKeyUNACLPZKETYQPW-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-difluorophenoxy)ethyl]piperidine
CID 117051161
6-phenylmethoxy-1-[[4-(1-piperidin-2-ylethoxy)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 23440911
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 116838978
[2-methyl-4-(trifluoromethyl)phenyl]-piperidin-2-ylmethanol
CID 106634718
2-[1-(4-methyl-3-phenylphenoxy)ethyl]piperidine
CID 91008575
2-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 43150630
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
piperidin-2-ylmethoxy-bis[4-(trifluoromethyl)phenyl]borane
CID 101217839

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 117051326) is 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine is CC(Oc1ccc(C(F)(F)F)cc1)C1CCCCN1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is UNACLPZKETYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(13-4-2-3-9-18-13)19-12-7-5-11(6-8-12)14(15,16)17/h5-8,10,13,18H,2-4,9H2,1H3.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine?
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 117051326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).