4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid

C16H23NO4 — CID 107227861

IUPAC4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H23NO4/c18-10-7-13-2-1-8-17(12-13)9-11-21-15-5-3-14(4-6-15)16(19)20/h3-6,13,18H,1-2,7-12H2,(H,19,20)
InChIKeyPCNFYFODOHOPNT-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.86
Rot. Bonds7

About 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid

4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid (PubChem CID 107227861) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
PubChem CID107227861
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCCC(CCO)C2)cc1
InChIInChI=1S/C16H23NO4/c18-10-7-13-2-1-8-17(12-13)9-11-21-15-5-3-14(4-6-15)16(19)20/h3-6,13,18H,1-2,7-12H2,(H,19,20)
InChIKeyPCNFYFODOHOPNT-UHFFFAOYSA-N
XLogP1.86
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-yl]ethanol
CID 115648330
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107228038
N'-hydroxy-4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzenecarboximidamide
CID 114797845
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
4-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 115647831
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
4-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]benzoic acid
CID 18678227
1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228840
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-[3-[3-(trifluoromethyl)piperidin-1-yl]propoxy]benzoic acid
CID 166176353

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid (CID 107227861) is 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid is O=C(O)c1ccc(OCCN2CCCC(CCO)C2)cc1.
What is the InChIKey of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid?
The InChIKey is PCNFYFODOHOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-10-7-13-2-1-8-17(12-13)9-11-21-15-5-3-14(4-6-15)16(19)20/h3-6,13,18H,1-2,7-12H2,(H,19,20).
What are the key properties of 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid?
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid is sourced from PubChem (CID 107227861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).