4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid

C17H25NO2 — CID 43803766

IUPAC4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid
SMILESCC(C)CC(C(=O)O)(c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-14(2)13-17(16(19)20,15-9-5-3-6-10-15)18-11-7-4-8-12-18/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,19,20)
InChIKeyYPFIEXZGPCITGX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds5

About 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid

4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid (PubChem CID 43803766) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid.

Molecular Properties

Compound Name4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid
PubChem CID43803766
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid
SMILESCC(C)CC(C(=O)O)(c1ccccc1)N1CCCCC1
InChIInChI=1S/C17H25NO2/c1-14(2)13-17(16(19)20,15-9-5-3-6-10-15)18-11-7-4-8-12-18/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,19,20)
InChIKeyYPFIEXZGPCITGX-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid?
The IUPAC name of 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid (CID 43803766) is 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid.
What is the SMILES notation for 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid?
The canonical SMILES for 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid is CC(C)CC(C(=O)O)(c1ccccc1)N1CCCCC1.
What is the InChIKey of 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid?
The InChIKey is YPFIEXZGPCITGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14(2)13-17(16(19)20,15-9-5-3-6-10-15)18-11-7-4-8-12-18/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid?
4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-2-piperidin-1-ylpentanoic acid is sourced from PubChem (CID 43803766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).