2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid

C21H24ClNO3 — CID 86285536

IUPAC2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
SMILESCCc1ccc(C(C(=O)O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClNO3/c1-2-15-3-5-16(6-4-15)19(20(24)25)23-13-11-21(26,12-14-23)17-7-9-18(22)10-8-17/h3-10,19,26H,2,11-14H2,1H3,(H,24,25)
InChIKeyCTTJDKJTFXDCSJ-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.01
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid

2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid (PubChem CID 86285536) has the molecular formula C21H24ClNO3 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
PubChem CID86285536
Molecular FormulaC21H24ClNO3
Molecular Weight373.88 g/mol
Exact Mass373.14
IUPAC Name2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
SMILESCCc1ccc(C(C(=O)O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H24ClNO3/c1-2-15-3-5-16(6-4-15)19(20(24)25)23-13-11-21(26,12-14-23)17-7-9-18(22)10-8-17/h3-10,19,26H,2,11-14H2,1H3,(H,24,25)
InChIKeyCTTJDKJTFXDCSJ-UHFFFAOYSA-N
XLogP4.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 82345122
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-(4-ethylphenyl)-1-iodopiperidin-4-ol
CID 138702315
(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid
CID 97189870
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
(E)-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-phenylbut-3-enoic acid
CID 10177259
(2S)-2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 97135003
2-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)acetic acid
CID 75365752
(3R)-3-(4-chlorophenyl)-1-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 124876525
(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 97191995
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-methylphenyl)-4-phenylbutan-1-one
CID 23365028

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid (CID 86285536) is 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid is CCc1ccc(C(C(=O)O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid?
The InChIKey is CTTJDKJTFXDCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO3/c1-2-15-3-5-16(6-4-15)19(20(24)25)23-13-11-21(26,12-14-23)17-7-9-18(22)10-8-17/h3-10,19,26H,2,11-14H2,1H3,(H,24,25).
What are the key properties of 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid?
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid has a molecular weight of 373.88 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid is sourced from PubChem (CID 86285536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).