4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid

C20H23FN2O3 — CID 67327582

IUPAC4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc(CCOc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3/c21-16-3-7-19(8-4-16)26-14-11-15-1-5-17(6-2-15)22-18-9-12-23(13-10-18)20(24)25/h1-8,18,22H,9-14H2,(H,24,25)
InChIKeySEGYINHTAKOPRX-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.00
Rot. Bonds6

About 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid

4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid (PubChem CID 67327582) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid
PubChem CID67327582
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc(CCOc3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C20H23FN2O3/c21-16-3-7-19(8-4-16)26-14-11-15-1-5-17(6-2-15)22-18-9-12-23(13-10-18)20(24)25/h1-8,18,22H,9-14H2,(H,24,25)
InChIKeySEGYINHTAKOPRX-UHFFFAOYSA-N
XLogP4.00
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylate
CID 123845758
4-[4-(4-methoxyphenoxy)anilino]piperidine-1-carboxylic acid
CID 166692462
4-(4-hydroxyanilino)piperidine-1-carboxylic acid
CID 118918090
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
4-(3,4-difluoroanilino)piperidine-1-carboxylic acid
CID 123726968
N-[(4-fluorophenyl)methyl]-4-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethoxy]anilino]piperidine-1-carboxamide
CID 10166207
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626
4-[4-[2-[[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]anilino]-N-octylpiperidine-1-carboxamide
CID 10302477
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
4-[4-[4-(2,2-dimethoxyethyl)anilino]piperidine-1-carbonyl]piperidine-1-carboxylic acid
CID 18173657
1-[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-2-phenoxyethanone
CID 42147628
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid (CID 67327582) is 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ccc(CCOc3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid?
The InChIKey is SEGYINHTAKOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-3-7-19(8-4-16)26-14-11-15-1-5-17(6-2-15)22-18-9-12-23(13-10-18)20(24)25/h1-8,18,22H,9-14H2,(H,24,25).
What are the key properties of 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid?
4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid has a molecular weight of 358.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylic acid is sourced from PubChem (CID 67327582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).