2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid

C21H25NO4 — CID 72907311

IUPAC2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCC(O)(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-15-14-17(26-2)8-9-18(15)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)
InChIKeyBCZORLJOPHAZMV-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.11
Rot. Bonds5

About 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid

2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid (PubChem CID 72907311) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid
PubChem CID72907311
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid
SMILESCOc1ccc(C(C(=O)O)N2CCC(O)(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H25NO4/c1-15-14-17(26-2)8-9-18(15)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)
InChIKeyBCZORLJOPHAZMV-UHFFFAOYSA-N
XLogP3.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 72887088
(2R)-2-(4-methoxy-2-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 97198091
(2R)-2-(3,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetic acid
CID 97189870
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
2,3-dihydroxy-3-(4-methoxy-2-methylphenyl)propanoic acid
CID 170823897
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methylphenyl)acetic acid
CID 146134846
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
(2S)-2-(2,4-dimethylphenyl)-2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]acetic acid
CID 97209526
[(3S)-3-hydroxy-3-phenylpyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120952
[1-(4-hydroxy-3-methylphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl] methanesulfonate
CID 142636494

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid?
The IUPAC name of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid (CID 72907311) is 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid is COc1ccc(C(C(=O)O)N2CCC(O)(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid?
The InChIKey is BCZORLJOPHAZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15-14-17(26-2)8-9-18(15)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).
What are the key properties of 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid?
2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid has a molecular weight of 355.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(4-methoxy-2-methylphenyl)acetic acid is sourced from PubChem (CID 72907311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).