ethyl 2-(4-methylpiperidin-1-yl)butanoate

C12H23NO2 — CID 64663481

IUPACethyl 2-(4-methylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCC(C)CC1
InChIInChI=1S/C12H23NO2/c1-4-11(12(14)15-5-2)13-8-6-10(3)7-9-13/h10-11H,4-9H2,1-3H3
InChIKeyQNMJTPXCRUFIGD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-(4-methylpiperidin-1-yl)butanoate

ethyl 2-(4-methylpiperidin-1-yl)butanoate (PubChem CID 64663481) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperidin-1-yl)butanoate
PubChem CID64663481
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(4-methylpiperidin-1-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCC(C)CC1
InChIInChI=1S/C12H23NO2/c1-4-11(12(14)15-5-2)13-8-6-10(3)7-9-13/h10-11H,4-9H2,1-3H3
InChIKeyQNMJTPXCRUFIGD-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
Piperazinium, 4-(1-carboxy-2-methylpropyl)-1-ethyl-1-methyl-, iodide, ethyl ester
CID 3065843
Methyl 2-(4-acetylpiperidin-1-yl)acetate
CID 57941101
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
Methyl 2-piperidinobutanoate
CID 11435364
Methyl alpha-methyl-1-piperidineacetate
CID 12957458
2-Diethylaminoethyl 1-methylpiperidine-4-carboxylate
CID 515605
[4-(Ethoxycarbonyl)piperidin-1-yl]acetic acid hydrochloride
CID 71778948
Methyl 2-morpholinobutanoate
CID 11286908
Ethyl 2-piperidinobutanoate
CID 15525951

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(4-methylpiperidin-1-yl)butanoate (CID 64663481) is ethyl 2-(4-methylpiperidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methylpiperidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methylpiperidin-1-yl)butanoate is CCOC(=O)C(CC)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-(4-methylpiperidin-1-yl)butanoate?
The InChIKey is QNMJTPXCRUFIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-11(12(14)15-5-2)13-8-6-10(3)7-9-13/h10-11H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpiperidin-1-yl)butanoate?
ethyl 2-(4-methylpiperidin-1-yl)butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperidin-1-yl)butanoate is sourced from PubChem (CID 64663481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).