2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid

C15H18F3NO3 — CID 174645076

IUPAC2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)22-13-3-1-10(2-4-13)7-12-8-11(5-6-19-12)9-14(20)21/h1-4,11-12,19H,5-9H2,(H,20,21)
InChIKeyFGVMAMSFGMHRQF-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.97
Rot. Bonds5

About 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid

2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid (PubChem CID 174645076) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
PubChem CID174645076
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(Cc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)22-13-3-1-10(2-4-13)7-12-8-11(5-6-19-12)9-14(20)21/h1-4,11-12,19H,5-9H2,(H,20,21)
InChIKeyFGVMAMSFGMHRQF-UHFFFAOYSA-N
XLogP2.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722897
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078
2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 61372500
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
N-(pyrrolidin-2-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119513413
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine
CID 43329124
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
[4-[[(2R)-piperazin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87722775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid (CID 174645076) is 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(Cc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
The InChIKey is FGVMAMSFGMHRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-15(17,18)22-13-3-1-10(2-4-13)7-12-8-11(5-6-19-12)9-14(20)21/h1-4,11-12,19H,5-9H2,(H,20,21).
What are the key properties of 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid?
2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid has a molecular weight of 317.31 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 174645076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).