4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid

C22H26FNO5 — CID 155162933

IUPAC4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid
SMILESCOc1cc(C(O)(c2ccccc2)C2CCN(C(=O)O)CC2)ccc1OCCF
InChIInChI=1S/C22H26FNO5/c1-28-20-15-18(7-8-19(20)29-14-11-23)22(27,16-5-3-2-4-6-16)17-9-12-24(13-10-17)21(25)26/h2-8,15,17,27H,9-14H2,1H3,(H,25,26)
InChIKeySINHHJDDHNRNOG-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.67
Rot. Bonds7

About 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid

4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid (PubChem CID 155162933) has the molecular formula C22H26FNO5 and a molecular weight of 403.45 g/mol. Its IUPAC name is 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid
PubChem CID155162933
Molecular FormulaC22H26FNO5
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid
SMILESCOc1cc(C(O)(c2ccccc2)C2CCN(C(=O)O)CC2)ccc1OCCF
InChIInChI=1S/C22H26FNO5/c1-28-20-15-18(7-8-19(20)29-14-11-23)22(27,16-5-3-2-4-6-16)17-9-12-24(13-10-17)21(25)26/h2-8,15,17,27H,9-14H2,1H3,(H,25,26)
InChIKeySINHHJDDHNRNOG-UHFFFAOYSA-N
XLogP3.67
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(S)-[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid
CID 155162920
tert-butyl 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylate
CID 154634646
benzyl 4-[bis(3,4-dimethoxyphenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 45104642
2-[4-[3-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]-2-oxoacetic acid
CID 19983080
[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 3435769
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
benzyl 2-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]-2-hydroxyacetate
CID 15020369
4-[hydroxy(diphenyl)methyl]-N-[4-methoxy-3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 70696289
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065
[1-(2-fluorophenoxy)cyclopropyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 166228602
methyl 4-(2-fluoroethoxy)-3-methoxybenzoate
CID 90061966
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid (CID 155162933) is 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid is COc1cc(C(O)(c2ccccc2)C2CCN(C(=O)O)CC2)ccc1OCCF.
What is the InChIKey of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid?
The InChIKey is SINHHJDDHNRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO5/c1-28-20-15-18(7-8-19(20)29-14-11-23)22(27,16-5-3-2-4-6-16)17-9-12-24(13-10-17)21(25)26/h2-8,15,17,27H,9-14H2,1H3,(H,25,26).
What are the key properties of 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid?
4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid has a molecular weight of 403.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-fluoroethoxy)-3-methoxyphenyl]-hydroxy-phenylmethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 155162933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).