2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid

C17H25NO3 — CID 106793710

IUPAC2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
SMILESCCCC1CCCCN1Cc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-3-6-14-7-4-5-10-18(14)12-13-8-9-15(17(19)20)16(11-13)21-2/h8-9,11,14H,3-7,10,12H2,1-2H3,(H,19,20)
InChIKeyYYNGLCOAPAEMHY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.55
Rot. Bonds6

About 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid

2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 106793710) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
PubChem CID106793710
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
SMILESCCCC1CCCCN1Cc1ccc(C(=O)O)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-3-6-14-7-4-5-10-18(14)12-13-8-9-15(17(19)20)16(11-13)21-2/h8-9,11,14H,3-7,10,12H2,1-2H3,(H,19,20)
InChIKeyYYNGLCOAPAEMHY-UHFFFAOYSA-N
XLogP3.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 107880904
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 83046047
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-methoxybenzoic acid
CID 106793672
2-methoxy-5-[(2-propylpiperidin-1-yl)methyl]benzonitrile
CID 83055995
4-[(2-ethylazepan-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 106788955
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 65062672
4-[(3-ethylmorpholin-4-yl)methyl]-2-methoxybenzoic acid
CID 106793496
2-methoxy-5-[[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methyl]benzoic acid
CID 99927710
1-[(3-methoxy-4-propoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040395
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
4-(cyclopentylmethyl)-2-methoxybenzoic acid
CID 23021577
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid (CID 106793710) is 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid is CCCC1CCCCN1Cc1ccc(C(=O)O)c(OC)c1.
What is the InChIKey of 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is YYNGLCOAPAEMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-6-14-7-4-5-10-18(14)12-13-8-9-15(17(19)20)16(11-13)21-2/h8-9,11,14H,3-7,10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid?
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 106793710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).