2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid

C10H19NO3 — CID 91083042

IUPAC2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)OCC1CCCCN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(2)14-7-9-5-3-4-6-11(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyGDFSDAMNIVQQIZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.94
Rot. Bonds3

About 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid

2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid (PubChem CID 91083042) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid
PubChem CID91083042
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid
SMILESCC(C)OCC1CCCCN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(2)14-7-9-5-3-4-6-11(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyGDFSDAMNIVQQIZ-UHFFFAOYSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid (CID 91083042) is 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid is CC(C)OCC1CCCCN1C(=O)O.
What is the InChIKey of 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid?
The InChIKey is GDFSDAMNIVQQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)14-7-9-5-3-4-6-11(9)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid?
2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91083042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).