2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid

C18H27NO2 — CID 83046324

IUPAC2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
SMILESCCCC1CCCCN1CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-9-16-12-7-8-13-19(16)14-18(2,17(20)21)15-10-5-4-6-11-15/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,20,21)
InChIKeyRKZFEDAPKLCZNC-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.68
Rot. Bonds6

About 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid

2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid (PubChem CID 83046324) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
PubChem CID83046324
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
SMILESCCCC1CCCCN1CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-9-16-12-7-8-13-19(16)14-18(2,17(20)21)15-10-5-4-6-11-15/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,20,21)
InChIKeyRKZFEDAPKLCZNC-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
2-(methylamino)-2-phenyl-3-(2-propylpiperidin-1-yl)propanenitrile
CID 83045205
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
2-phenyl-1-[2-(propylaminomethyl)piperidin-1-yl]propan-2-ol
CID 63848691
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
CID 83221625
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-phenylpropan-2-ol
CID 114338665
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid (CID 83046324) is 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid is CCCC1CCCCN1CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid?
The InChIKey is RKZFEDAPKLCZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-9-16-12-7-8-13-19(16)14-18(2,17(20)21)15-10-5-4-6-11-15/h4-6,10-11,16H,3,7-9,12-14H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid?
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid has a molecular weight of 289.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 83046324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).