(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid

C20H23NO4 — CID 97193493

IUPAC(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)[C@H](c1ccccc1OCc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C20H23NO4/c22-16-10-12-21(13-11-16)19(20(23)24)17-8-4-5-9-18(17)25-14-15-6-2-1-3-7-15/h1-9,16,19,22H,10-14H2,(H,23,24)/t19-/m0/s1
InChIKeyVQNNGMOBMJILQD-IBGZPJMESA-N
MW341.41 g/mol
LogP2.85
Rot. Bonds6

About (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid

(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid (PubChem CID 97193493) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid
PubChem CID97193493
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid
SMILESO=C(O)[C@H](c1ccccc1OCc1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C20H23NO4/c22-16-10-12-21(13-11-16)19(20(23)24)17-8-4-5-9-18(17)25-14-15-6-2-1-3-7-15/h1-9,16,19,22H,10-14H2,(H,23,24)/t19-/m0/s1
InChIKeyVQNNGMOBMJILQD-IBGZPJMESA-N
XLogP2.85
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
1-[(4-methylphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4034310
1-[naphthalen-2-yl-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3964212
1-[(4-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3526557
1-[phenyl-(2-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4267257
2-(3,4-diethylpiperazin-1-yl)-2-(2-ethoxyphenyl)acetic acid
CID 83979102
1-[2-(5-bromo-2-phenylmethoxyphenyl)-2-hydroxyethyl]piperidin-4-ol
CID 141118408
(2R)-N-(2-ethoxyphenyl)-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide
CID 29440121
1-[(R)-cyclopropyl-(2-phenylmethoxyphenyl)methyl]piperazine
CID 171295550
1-[(2-phenylmethoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4209340
1-[(2-phenylmethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3968285
1-[(2-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
CID 3570233

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid?
The IUPAC name of (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid (CID 97193493) is (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid is O=C(O)[C@H](c1ccccc1OCc1ccccc1)N1CCC(O)CC1.
What is the InChIKey of (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid?
The InChIKey is VQNNGMOBMJILQD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23NO4/c22-16-10-12-21(13-11-16)19(20(23)24)17-8-4-5-9-18(17)25-14-15-6-2-1-3-7-15/h1-9,16,19,22H,10-14H2,(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid?
(2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid has a molecular weight of 341.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxypiperidin-1-yl)-2-(2-phenylmethoxyphenyl)acetic acid is sourced from PubChem (CID 97193493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).