2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid

C16H23NO3 — CID 105345630

IUPAC2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CN2CCCCC2CCO)cc1
InChIInChI=1S/C16H23NO3/c18-10-8-15-3-1-2-9-17(15)12-14-6-4-13(5-7-14)11-16(19)20/h4-7,15,18H,1-3,8-12H2,(H,19,20)
InChIKeyJOFBCFNCCACDOX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.05
Rot. Bonds6

About 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid

2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid (PubChem CID 105345630) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
PubChem CID105345630
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CN2CCCCC2CCO)cc1
InChIInChI=1S/C16H23NO3/c18-10-8-15-3-1-2-9-17(15)12-14-6-4-13(5-7-14)11-16(19)20/h4-7,15,18H,1-3,8-12H2,(H,19,20)
InChIKeyJOFBCFNCCACDOX-UHFFFAOYSA-N
XLogP2.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzylpyrrolidin-2-yl)ethanol;ethane
CID 142002278
1-(4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052910
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
3-[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]propanoic acid
CID 84758629
3-[2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 76908365
N-(3-fluorophenyl)-4-[[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95138127
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid (CID 105345630) is 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid is O=C(O)Cc1ccc(CN2CCCCC2CCO)cc1.
What is the InChIKey of 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid?
The InChIKey is JOFBCFNCCACDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-10-8-15-3-1-2-9-17(15)12-14-6-4-13(5-7-14)11-16(19)20/h4-7,15,18H,1-3,8-12H2,(H,19,20).
What are the key properties of 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid?
2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid is sourced from PubChem (CID 105345630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).