4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid

C14H27NO2 — CID 63126221

IUPAC4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
SMILESCCCC(C)CN1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-6-12(3)11-15-9-7-14(5-2,8-10-15)13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyVXKDQFSVIPPCGA-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.00
Rot. Bonds6

About 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid

4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid (PubChem CID 63126221) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
PubChem CID63126221
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
SMILESCCCC(C)CN1CCC(CC)(C(=O)O)CC1
InChIInChI=1S/C14H27NO2/c1-4-6-12(3)11-15-9-7-14(5-2,8-10-15)13(16)17/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyVXKDQFSVIPPCGA-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 55222175
4-ethyl-1-[methyl(pentan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63126538
2-[4-(2-methylpentyl)piperazin-1-yl]propanoic acid
CID 62312469
1-(3-amino-2-methyl-3-oxopropyl)-4-propylpiperidine-4-carboxylic acid
CID 63126829
1-[2-(diethylamino)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176812
3-ethyl-1-(2-ethylbutyl)pyrrolidine-3-carboxylic acid
CID 65063747
1-(2-bromoprop-2-enyl)-4-ethylpiperidine-4-carboxylic acid
CID 63126160
3-ethyl-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63148782
1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
CID 166733131
3-ethyl-1-pentan-2-ylpiperidine-3-carboxylic acid
CID 65069025
1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
4-ethyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxylic acid
CID 65066458

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid (CID 63126221) is 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid is CCCC(C)CN1CCC(CC)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid?
The InChIKey is VXKDQFSVIPPCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-12(3)11-15-9-7-14(5-2,8-10-15)13(16)17/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid has a molecular weight of 241.37 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).