2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid

C16H23NO2 — CID 62271359

IUPAC2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
SMILESCC1CCCN(CC(C)(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13-7-6-10-17(11-13)12-16(2,15(18)19)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,18,19)
InChIKeyROVIRTQTSAECDA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid

2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid (PubChem CID 62271359) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
PubChem CID62271359
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
SMILESCC1CCCN(CC(C)(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-13-7-6-10-17(11-13)12-16(2,15(18)19)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,18,19)
InChIKeyROVIRTQTSAECDA-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropan-1-ol
CID 55055369
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 103539211
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-ethyl-2-[(3-methylpiperidin-1-yl)methyl]butanoic acid
CID 62271358
N-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 1118538
1-benzyl-3-methylpiperidine
CID 2794856
2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 83221625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid (CID 62271359) is 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid is CC1CCCN(CC(C)(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid?
The InChIKey is ROVIRTQTSAECDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-7-6-10-17(11-13)12-16(2,15(18)19)14-8-4-3-5-9-14/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid?
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid has a molecular weight of 261.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 62271359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).