1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid

C12H24N2O2 — CID 117020325

IUPAC1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCN(C)CCN1CCC(C(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2)9-10(11(15)16)5-6-14(12)8-7-13(3)4/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyNCDRUVFGASGRCQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid

1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid (PubChem CID 117020325) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
PubChem CID117020325
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
SMILESCN(C)CCN1CCC(C(=O)O)CC1(C)C
InChIInChI=1S/C12H24N2O2/c1-12(2)9-10(11(15)16)5-6-14(12)8-7-13(3)4/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyNCDRUVFGASGRCQ-UHFFFAOYSA-N
XLogP1.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid (CID 117020325) is 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid is CN(C)CCN1CCC(C(=O)O)CC1(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid?
The InChIKey is NCDRUVFGASGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)9-10(11(15)16)5-6-14(12)8-7-13(3)4/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid?
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid has a molecular weight of 228.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 117020325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).