4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid

C16H23NO4 — CID 6486810

IUPAC4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
SMILESCC1CCN(CC(O)COc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO4/c1-12-6-8-17(9-7-12)10-14(18)11-21-15-4-2-13(3-5-15)16(19)20/h2-5,12,14,18H,6-11H2,1H3,(H,19,20)
InChIKeyGKZJOLCUGLMVGN-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.86
Rot. Bonds6

About 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid

4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid (PubChem CID 6486810) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
PubChem CID6486810
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
SMILESCC1CCN(CC(O)COc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C16H23NO4/c1-12-6-8-17(9-7-12)10-14(18)11-21-15-4-2-13(3-5-15)16(19)20/h2-5,12,14,18H,6-11H2,1H3,(H,19,20)
InChIKeyGKZJOLCUGLMVGN-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
1-(3,4-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237821
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
1-[4-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 7247975
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
(2R)-1-(4-methylpiperidin-1-yl)-3-[4-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)phenoxy]propan-2-ol
CID 130269711

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid?
The IUPAC name of 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid (CID 6486810) is 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid.
What is the SMILES notation for 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid?
The canonical SMILES for 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid is CC1CCN(CC(O)COc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid?
The InChIKey is GKZJOLCUGLMVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-6-8-17(9-7-12)10-14(18)11-21-15-4-2-13(3-5-15)16(19)20/h2-5,12,14,18H,6-11H2,1H3,(H,19,20).
What are the key properties of 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid?
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid has a molecular weight of 293.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid is sourced from PubChem (CID 6486810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).