2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid

C15H21NO3 — CID 62514460

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid
SMILESCc1ccc(N2CCCCC2CCO)c(C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-11-5-6-14(13(10-11)15(18)19)16-8-3-2-4-12(16)7-9-17/h5-6,10,12,17H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyDOUXPXZKMSOHCL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid

2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid (PubChem CID 62514460) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid
PubChem CID62514460
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid
SMILESCc1ccc(N2CCCCC2CCO)c(C(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-11-5-6-14(13(10-11)15(18)19)16-8-3-2-4-12(16)7-9-17/h5-6,10,12,17H,2-4,7-9H2,1H3,(H,18,19)
InChIKeyDOUXPXZKMSOHCL-UHFFFAOYSA-N
XLogP2.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-5-methylbenzoic acid
CID 55082983
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-methylbenzoic acid
CID 102726702
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
5-amino-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 54888136
5-nitro-2-(2-propylpiperidin-1-yl)benzoic acid
CID 83046618
5-methyl-2-(2-methylazetidin-1-yl)benzoic acid
CID 79686311
5-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarbothioamide
CID 62493326
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-5-methylbenzoic acid
CID 24704479
5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
CID 61407227
4-[2-(hydroxymethyl)piperidin-1-yl]-3-methylbenzaldehyde
CID 62122634
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid (CID 62514460) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid is Cc1ccc(N2CCCCC2CCO)c(C(=O)O)c1.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid?
The InChIKey is DOUXPXZKMSOHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-6-14(13(10-11)15(18)19)16-8-3-2-4-12(16)7-9-17/h5-6,10,12,17H,2-4,7-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid?
2-[2-(2-hydroxyethyl)piperidin-1-yl]-5-methylbenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.43, 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]-5-methylbenzoic acid is sourced from PubChem (CID 62514460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).