4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid

C16H30N2O2 — CID 63126773

IUPAC4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCC2CCCCN2C)CC1
InChIInChI=1S/C16H30N2O2/c1-3-16(15(19)20)8-12-18(13-9-16)11-7-14-6-4-5-10-17(14)2/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyXNTSPXNZMWEAKP-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.44
Rot. Bonds5

About 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid

4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 63126773) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID63126773
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CCC2CCCCN2C)CC1
InChIInChI=1S/C16H30N2O2/c1-3-16(15(19)20)8-12-18(13-9-16)11-7-14-6-4-5-10-17(14)2/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyXNTSPXNZMWEAKP-UHFFFAOYSA-N
XLogP2.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-methylpiperidin-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709629
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612
4-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 55226113
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126585
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylic acid
CID 43441253
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126649
4-ethyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxylic acid
CID 65066458
2-[2-[4-(1-bromoethyl)piperidin-1-yl]ethyl]-1-methylpiperidine
CID 107914062
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
ethyl (3R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-3-carboxylate
CID 81338983

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid (CID 63126773) is 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CCC2CCCCN2C)CC1.
What is the InChIKey of 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is XNTSPXNZMWEAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-16(15(19)20)8-12-18(13-9-16)11-7-14-6-4-5-10-17(14)2/h14H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid?
4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 282.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).