2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid

C12H23NO2 — CID 83983047

IUPAC2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
SMILESCCC(CC1CCN(CC)CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-11(12(14)15)9-10-5-7-13(4-2)8-6-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyGSPLVGVXYJKJNQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds5

About 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid

2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid (PubChem CID 83983047) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
PubChem CID83983047
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
SMILESCCC(CC1CCN(CC)CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-11(12(14)15)9-10-5-7-13(4-2)8-6-10/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyGSPLVGVXYJKJNQ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]butanoic acid
CID 83983234
2-[(4-hydroxycyclohexyl)methyl]butanoic acid
CID 142704422
3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
CID 83983052
2-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]butanoic acid
CID 83982051
2-amino-2-(1-ethylazepan-4-yl)acetic acid
CID 84669559
2-(1-ethylazepan-4-yl)acetic acid
CID 65075692
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
benzene;1-ethylpiperidine-4-carboxamide
CID 91582947
2-(hydroxymethyl)-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 83817682
benzene;4-(bromomethyl)-1-ethylpiperidine;formic acid
CID 177362556

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid?
The IUPAC name of 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid (CID 83983047) is 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid is CCC(CC1CCN(CC)CC1)C(=O)O.
What is the InChIKey of 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid?
The InChIKey is GSPLVGVXYJKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(12(14)15)9-10-5-7-13(4-2)8-6-10/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid?
2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid is sourced from PubChem (CID 83983047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).