2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid

C16H23NO4 — CID 28701059

IUPAC2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
SMILESCCOc1cc(CN2CCC(CC(=O)O)CC2)ccc1O
InChIInChI=1S/C16H23NO4/c1-2-21-15-9-13(3-4-14(15)18)11-17-7-5-12(6-8-17)10-16(19)20/h3-4,9,12,18H,2,5-8,10-11H2,1H3,(H,19,20)
InChIKeyCDPFSQYPCDQQEV-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.48
Rot. Bonds6

About 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid

2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 28701059) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID28701059
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid
SMILESCCOc1cc(CN2CCC(CC(=O)O)CC2)ccc1O
InChIInChI=1S/C16H23NO4/c1-2-21-15-9-13(3-4-14(15)18)11-17-7-5-12(6-8-17)10-16(19)20/h3-4,9,12,18H,2,5-8,10-11H2,1H3,(H,19,20)
InChIKeyCDPFSQYPCDQQEV-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-2-ethoxyphenol
CID 3441291
2-ethoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981139
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 3645638
[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;oxalic acid
CID 126467826
2-ethoxy-4-(piperazin-1-ylmethyl)phenol
CID 54914762
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 126467965
2-ethoxy-4-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106590288
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606523
(2S,3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 167949979

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid (CID 28701059) is 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid is CCOc1cc(CN2CCC(CC(=O)O)CC2)ccc1O.
What is the InChIKey of 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is CDPFSQYPCDQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-21-15-9-13(3-4-14(15)18)11-17-7-5-12(6-8-17)10-16(19)20/h3-4,9,12,18H,2,5-8,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 28701059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).