2-phenyl-2-piperidin-1-ylpropanoic acid

C14H19NO2 — CID 43803809

IUPAC2-phenyl-2-piperidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H19NO2/c1-14(13(16)17,12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNMCQKSSXSWXZOO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds3

About 2-phenyl-2-piperidin-1-ylpropanoic acid

2-phenyl-2-piperidin-1-ylpropanoic acid (PubChem CID 43803809) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-ylpropanoic acid
PubChem CID43803809
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-phenyl-2-piperidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1)N1CCCCC1
InChIInChI=1S/C14H19NO2/c1-14(13(16)17,12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17)
InChIKeyNMCQKSSXSWXZOO-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-(4-bromophenyl)propanoic acid
CID 61057163
2-[4-(dimethylamino)phenyl]-2-piperidin-1-ylpropanoic acid
CID 60965033
2-(4-methylsulfanylphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803548
2-(3-methylazetidin-1-yl)-2-phenylpropanoic acid
CID 79695383
2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
CID 43803468
2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid
CID 115000736
2-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 61057480
2-phenyl-2-pyrrolidin-1-ylbutanoic acid
CID 43803457
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803405
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolidin-1-ylpropanoic acid
CID 43803470
4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid
CID 43803766
2-(3-methyl-2-oxoimidazolidin-1-yl)-2-phenylpropanoic acid
CID 114996165

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-phenyl-2-piperidin-1-ylpropanoic acid (CID 43803809) is 2-phenyl-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-phenyl-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-phenyl-2-piperidin-1-ylpropanoic acid is CC(C(=O)O)(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-phenyl-2-piperidin-1-ylpropanoic acid?
The InChIKey is NMCQKSSXSWXZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(13(16)17,12-8-4-2-5-9-12)15-10-6-3-7-11-15/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H,16,17).
What are the key properties of 2-phenyl-2-piperidin-1-ylpropanoic acid?
2-phenyl-2-piperidin-1-ylpropanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 43803809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).