3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid

C20H24N2O2 — CID 122029147

IUPAC3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
SMILESCN(Cc1cccc(C(=O)O)c1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-21(14-16-7-5-8-17(13-16)20(23)24)19-11-6-12-22(15-19)18-9-3-2-4-10-18/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,23,24)
InChIKeyHMOSJUPYIPHKGX-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.49
Rot. Bonds5

About 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid

3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid (PubChem CID 122029147) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
PubChem CID122029147
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid
SMILESCN(Cc1cccc(C(=O)O)c1)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c1-21(14-16-7-5-8-17(13-16)20(23)24)19-11-6-12-22(15-19)18-9-3-2-4-10-18/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,23,24)
InChIKeyHMOSJUPYIPHKGX-UHFFFAOYSA-N
XLogP3.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
3-[[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]methyl]benzoic acid
CID 122029049
2-[methyl-[1-(3-methylphenyl)piperidin-3-yl]amino]acetic acid
CID 117004930
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
CID 96522063
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
N-benzyl-N,1-dimethylpiperidin-3-amine;ethane
CID 142272680
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
2-amino-N-methyl-4-methylsulfonyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119958110
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid (CID 122029147) is 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid is CN(Cc1cccc(C(=O)O)c1)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid?
The InChIKey is HMOSJUPYIPHKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-21(14-16-7-5-8-17(13-16)20(23)24)19-11-6-12-22(15-19)18-9-3-2-4-10-18/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,23,24).
What are the key properties of 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid?
3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid has a molecular weight of 324.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(1-phenylpiperidin-3-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 122029147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).