4-[(dimethylamino)methyl]piperidine-1-carboxylic acid

C9H18N2O2 — CID 22349183

IUPAC4-[(dimethylamino)methyl]piperidine-1-carboxylic acid
SMILESCN(C)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-10(2)7-8-3-5-11(6-4-8)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFSPJQCLZFGPHEF-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.94
Rot. Bonds2

About 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid

4-[(dimethylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 22349183) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]piperidine-1-carboxylic acid
PubChem CID22349183
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-[(dimethylamino)methyl]piperidine-1-carboxylic acid
SMILESCN(C)CC1CCN(C(=O)O)CC1
InChIInChI=1S/C9H18N2O2/c1-10(2)7-8-3-5-11(6-4-8)9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFSPJQCLZFGPHEF-UHFFFAOYSA-N
XLogP0.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid (CID 22349183) is 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid is CN(C)CC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is FSPJQCLZFGPHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10(2)7-8-3-5-11(6-4-8)9(12)13/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid?
4-[(dimethylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 22349183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).