1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid

C16H23NO4 — CID 82216400

IUPAC1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1C(O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO4/c1-2-21-15-6-4-3-5-13(15)14(18)11-17-9-7-12(8-10-17)16(19)20/h3-6,12,14,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyHCRDLUYFCGAYMR-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.92
Rot. Bonds6

About 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid

1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid (PubChem CID 82216400) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
PubChem CID82216400
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1C(O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23NO4/c1-2-21-15-6-4-3-5-13(15)14(18)11-17-9-7-12(8-10-17)16(19)20/h3-6,12,14,18H,2,7-11H2,1H3,(H,19,20)
InChIKeyHCRDLUYFCGAYMR-UHFFFAOYSA-N
XLogP1.92
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-[(2-ethoxyphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 4280041
1-[[4-(dimethylamino)phenyl]-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4539521
1-[1-benzothiophen-3-yl-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3303222
1-[(5-chloro-2-ethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5021326
1-(2-methoxyphenyl)-2-(4-propylpiperidin-1-yl)ethanol
CID 62205945
1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4035445
1-(2-ethoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanol
CID 62974390
1-[2-(2-phenylethoxy)phenyl]-2-piperidin-1-ylethanol
CID 57295801
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
1-[(5-bromo-2-ethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid
CID 4692670
1-[1-(2-ethoxyphenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3646921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid (CID 82216400) is 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid is CCOc1ccccc1C(O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid?
The InChIKey is HCRDLUYFCGAYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-21-15-6-4-3-5-13(15)14(18)11-17-9-7-12(8-10-17)16(19)20/h3-6,12,14,18H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid?
1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82216400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).