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

C14H19NO3 — CID 62230001

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCCCC1CCO
InChIInChI=1S/C14H19NO3/c16-10-8-11-5-3-4-9-15(11)13-7-2-1-6-12(13)14(17)18/h1-2,6-7,11,16H,3-5,8-10H2,(H,17,18)
InChIKeyODDTUNNAJILKFG-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.13
Rot. Bonds4

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

2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid (PubChem CID 62230001) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
PubChem CID62230001
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
SMILESO=C(O)c1ccccc1N1CCCCC1CCO
InChIInChI=1S/C14H19NO3/c16-10-8-11-5-3-4-9-15(11)13-7-2-1-6-12(13)14(17)18/h1-2,6-7,11,16H,3-5,8-10H2,(H,17,18)
InChIKeyODDTUNNAJILKFG-UHFFFAOYSA-N
XLogP2.13
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962
2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid
CID 62514460
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
CID 117028523
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
2-[2-(cyanomethyl)pyrrolidin-1-yl]benzoic acid
CID 174846832
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
CID 61146696
2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
CID 117028559
2-[2-(2-hydroxyethyl)pyrrolidin-1-yl]benzonitrile
CID 117028581
2-[1-(3-amino-2-nitrophenyl)piperidin-2-yl]ethanol
CID 80767784
2-chloro-6-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 55079597
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methylbenzoic acid
CID 55082983

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid (CID 62230001) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid is O=C(O)c1ccccc1N1CCCCC1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid?
The InChIKey is ODDTUNNAJILKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-10-8-11-5-3-4-9-15(11)13-7-2-1-6-12(13)14(17)18/h1-2,6-7,11,16H,3-5,8-10H2,(H,17,18).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid?
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid is sourced from PubChem (CID 62230001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).