4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid

C19H22N2O2 — CID 124959685

IUPAC4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
SMILESCN1CCC[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1
InChIInChI=1S/C19H22N2O2/c1-21-10-2-3-15(13-21)11-14-4-9-18(20-12-14)16-5-7-17(8-6-16)19(22)23/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyGPAMFOMUDCFJMB-OAHLLOKOSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds4

About 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid

4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid (PubChem CID 124959685) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
PubChem CID124959685
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid
SMILESCN1CCC[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1
InChIInChI=1S/C19H22N2O2/c1-21-10-2-3-15(13-21)11-14-4-9-18(20-12-14)16-5-7-17(8-6-16)19(22)23/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyGPAMFOMUDCFJMB-OAHLLOKOSA-N
XLogP3.33
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124939693
4-[5-(piperidin-4-ylmethyl)-2-pyridinyl]benzoic acid
CID 110096537
5-[5-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 125013141
1-[(3R)-3-[[6-(4-methoxyphenyl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95821000
3-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-pyridinyl]benzoic acid
CID 110112138
3-[5-[(1-methylpiperidin-3-yl)methyl]pyrazin-2-yl]benzoic acid
CID 110120249
3-[5-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-pyridinyl]benzoic acid
CID 124984055
4-[5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]ethyl]-2-pyridinyl]benzoic acid
CID 175660612
5-[5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 110112120
5-[5-[[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carboxylic acid
CID 125026683
ethane;1-methyl-3-[(4-methylphenyl)methyl]piperidine
CID 153329606
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 124958196

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
The IUPAC name of 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid (CID 124959685) is 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
The canonical SMILES for 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid is CN1CCC[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1.
What is the InChIKey of 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
The InChIKey is GPAMFOMUDCFJMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21-10-2-3-15(13-21)11-14-4-9-18(20-12-14)16-5-7-17(8-6-16)19(22)23/h4-9,12,15H,2-3,10-11,13H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid?
4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid has a molecular weight of 310.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-pyridinyl]benzoic acid is sourced from PubChem (CID 124959685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).