2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid

C17H25NO2 — CID 104599033

IUPAC2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
SMILESCCCC(c1ccccc1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-9-15(14-10-5-4-6-11-14)18-13-8-7-12-17(18,2)16(19)20/h4-6,10-11,15H,3,7-9,12-13H2,1-2H3,(H,19,20)
InChIKeyDMNKQAANSWZJPP-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.86
Rot. Bonds5

About 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid

2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid (PubChem CID 104599033) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
PubChem CID104599033
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
SMILESCCCC(c1ccccc1)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C17H25NO2/c1-3-9-15(14-10-5-4-6-11-14)18-13-8-7-12-17(18,2)16(19)20/h4-6,10-11,15H,3,7-9,12-13H2,1-2H3,(H,19,20)
InChIKeyDMNKQAANSWZJPP-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid (CID 104599033) is 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid is CCCC(c1ccccc1)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid?
The InChIKey is DMNKQAANSWZJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-9-15(14-10-5-4-6-11-14)18-13-8-7-12-17(18,2)16(19)20/h4-6,10-11,15H,3,7-9,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid?
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104599033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).