(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid

C21H25NO5 — CID 97189870

IUPAC(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H25NO5/c1-26-17-9-8-15(14-18(17)27-2)19(20(23)24)22-12-10-21(25,11-13-22)16-6-4-3-5-7-16/h3-9,14,19,25H,10-13H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyIWGAVJOHECTMPJ-LJQANCHMSA-N
MW371.43 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid

(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid (PubChem CID 97189870) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid
PubChem CID97189870
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid
SMILESCOc1ccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H25NO5/c1-26-17-9-8-15(14-18(17)27-2)19(20(23)24)22-12-10-21(25,11-13-22)16-6-4-3-5-7-16/h3-9,14,19,25H,10-13H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyIWGAVJOHECTMPJ-LJQANCHMSA-N
XLogP2.81
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 97191995
2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid
CID 72907311
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
2-(4-methoxy-3-methylphenyl)-2-piperazin-1-ylacetic acid
CID 55039331
(2S)-2-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 97200415
2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-ethylphenyl)acetic acid
CID 86285536
2-(3,4-dimethoxyphenyl)-2-fluoroacetic acid
CID 53441736
(2R)-2-(4-cyclohexyl-3-oxopiperazin-1-yl)-2-(3,4-dimethoxyphenyl)acetic acid
CID 97194298
2-(3-methoxyphenyl)-2-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylacetic acid
CID 136557938
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
CID 50980551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid?
The IUPAC name of (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid (CID 97189870) is (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid?
The canonical SMILES for (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid is COc1ccc([C@H](C(=O)O)N2CCC(O)(c3ccccc3)CC2)cc1OC.
What is the InChIKey of (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid?
The InChIKey is IWGAVJOHECTMPJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO5/c1-26-17-9-8-15(14-18(17)27-2)19(20(23)24)22-12-10-21(25,11-13-22)16-6-4-3-5-7-16/h3-9,14,19,25H,10-13H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid?
(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid has a molecular weight of 371.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 97189870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).