2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid

C13H25NO3 — CID 106744761

IUPAC2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
SMILESCC(C)COCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H25NO3/c1-10(2)9-17-7-6-14-5-4-12(13(15)16)8-11(14)3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyVPCRBKWAGMUGNJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.84
Rot. Bonds6

About 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid

2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid (PubChem CID 106744761) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
PubChem CID106744761
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid
SMILESCC(C)COCCN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H25NO3/c1-10(2)9-17-7-6-14-5-4-12(13(15)16)8-11(14)3/h10-12H,4-9H2,1-3H3,(H,15,16)
InChIKeyVPCRBKWAGMUGNJ-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid (CID 106744761) is 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid is CC(C)COCCN1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid?
The InChIKey is VPCRBKWAGMUGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)9-17-7-6-14-5-4-12(13(15)16)8-11(14)3/h10-12H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid has a molecular weight of 243.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).