1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid

C14H26N2O2 — CID 43441253

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
SMILESCN1CCCCC1CCN1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O2/c1-15-9-4-2-6-12(15)8-11-16-10-5-3-7-13(16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyUFRUFTSWLQBOTK-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid

1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 43441253) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID43441253
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
SMILESCN1CCCCC1CCN1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O2/c1-15-9-4-2-6-12(15)8-11-16-10-5-3-7-13(16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18)
InChIKeyUFRUFTSWLQBOTK-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
1-(2-deuterioethyl)piperidine-2-carboxylic acid
CID 139894502
1-(6-hydroxyhexyl)piperidine-2-carboxylic acid
CID 104540976
1-(4-hydroxybutyl)azepane-2-carboxylic acid
CID 64563148
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-(3-hydroxy-3-methylbutyl)azepane-2-carboxylic acid
CID 79354871
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55226113
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
(2S)-1-[2-[(3R,5S)-3,5-dimethylcyclohexyl]ethyl]pyrrolidine-2-carboxylic acid
CID 125118755
1-(4,4-dimethylpentyl)azocane-2-carboxylic acid
CID 114239890

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid (CID 43441253) is 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid is CN1CCCCC1CCN1CCCCC1C(=O)O.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is UFRUFTSWLQBOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-9-4-2-6-12(15)8-11-16-10-5-3-7-13(16)14(17)18/h12-13H,2-11H2,1H3,(H,17,18).
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid?
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43441253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).