2-methylpiperidine-1-carboxylic acid

C7H13NO2 — CID 10307867

IUPAC2-methylpiperidine-1-carboxylic acid
SMILESCC1CCCCN1C(=O)O
InChIInChI=1S/C7H13NO2/c1-6-4-2-3-5-8(6)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyNJNCCNWXWJZBDF-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.54
Rot. Bonds

About 2-methylpiperidine-1-carboxylic acid

2-methylpiperidine-1-carboxylic acid (PubChem CID 10307867) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-methylpiperidine-1-carboxylic acid
PubChem CID10307867
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-methylpiperidine-1-carboxylic acid
SMILESCC1CCCCN1C(=O)O
InChIInChI=1S/C7H13NO2/c1-6-4-2-3-5-8(6)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyNJNCCNWXWJZBDF-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylpiperidine-1-carboxylic acid?
The IUPAC name of 2-methylpiperidine-1-carboxylic acid (CID 10307867) is 2-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 2-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 2-methylpiperidine-1-carboxylic acid is CC1CCCCN1C(=O)O.
What is the InChIKey of 2-methylpiperidine-1-carboxylic acid?
The InChIKey is NJNCCNWXWJZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6-4-2-3-5-8(6)7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-methylpiperidine-1-carboxylic acid?
2-methylpiperidine-1-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 10307867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).