1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid

C10H19NO2 — CID 83915215

IUPAC1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)CN1C
InChIInChI=1S/C10H19NO2/c1-7(2)9-5-4-8(10(12)13)6-11(9)3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyIGGGGEANGPUFOV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid

1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid (PubChem CID 83915215) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
PubChem CID83915215
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)C1CCC(C(=O)O)CN1C
InChIInChI=1S/C10H19NO2/c1-7(2)9-5-4-8(10(12)13)6-11(9)3/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyIGGGGEANGPUFOV-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid (CID 83915215) is 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid is CC(C)C1CCC(C(=O)O)CN1C.
What is the InChIKey of 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is IGGGGEANGPUFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)9-5-4-8(10(12)13)6-11(9)3/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid?
1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83915215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).