[3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate

C14H15F4NO2 — CID 139349151

IUPAC[3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(Cc2ccc(F)cc2)CCCNC1)C(F)(F)F
InChIInChI=1S/C14H15F4NO2/c15-11-4-2-10(3-5-11)8-13(6-1-7-19-9-13)21-12(20)14(16,17)18/h2-5,19H,1,6-9H2
InChIKeyACABYNUDCYRSRW-UHFFFAOYSA-N
MW305.27 g/mol
LogP2.60
Rot. Bonds3

About [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate

[3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate (PubChem CID 139349151) has the molecular formula C14H15F4NO2 and a molecular weight of 305.27 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate
PubChem CID139349151
Molecular FormulaC14H15F4NO2
Molecular Weight305.27 g/mol
Exact Mass305.10
IUPAC Name[3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(Cc2ccc(F)cc2)CCCNC1)C(F)(F)F
InChIInChI=1S/C14H15F4NO2/c15-11-4-2-10(3-5-11)8-13(6-1-7-19-9-13)21-12(20)14(16,17)18/h2-5,19H,1,6-9H2
InChIKeyACABYNUDCYRSRW-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methyl]cyclopropyl] 2-aminoacetate
CID 90873391
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 2761830
1-[4-[(3-hydroxypiperidin-3-yl)methyl]phenyl]ethanone
CID 105493019
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 97357080
2-(4-fluorophenyl)ethyl 2,2,2-trifluoroacetate
CID 69117712
4-[(3-hydroxypiperidin-3-yl)methyl]benzaldehyde
CID 105474116
4-[(3-fluoropiperidin-3-yl)methyl]phenol
CID 112562864
3-[(4-methylphenyl)methyl]piperidin-3-ol
CID 63588493
4-[(3-methoxypyrrolidin-3-yl)methyl]phenol
CID 105460442
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734

Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate (CID 139349151) is [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate is O=C(OC1(Cc2ccc(F)cc2)CCCNC1)C(F)(F)F.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is ACABYNUDCYRSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NO2/c15-11-4-2-10(3-5-11)8-13(6-1-7-19-9-13)21-12(20)14(16,17)18/h2-5,19H,1,6-9H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate?
[3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 305.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]piperidin-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 139349151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).