ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate

C13H26N2O2 — CID 83049640

IUPACethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC(CN)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-12(13(16)17-4-2)15-8-5-7-11(9-14)10-15/h11-12H,3-10,14H2,1-2H3
InChIKeyVOKWQLGUWXTUTB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds6

About ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate

ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate (PubChem CID 83049640) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
PubChem CID83049640
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCCC(CN)C1
InChIInChI=1S/C13H26N2O2/c1-3-6-12(13(16)17-4-2)15-8-5-7-11(9-14)10-15/h11-12H,3-10,14H2,1-2H3
InChIKeyVOKWQLGUWXTUTB-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-[3-(2-hydroxyethyl)piperidin-1-yl]butanoate
CID 64663422
ethyl (2R)-2-(4-hydroxypiperidin-1-yl)pentanoate
CID 95346550
ethyl 2-(3-hydroxy-4-methylpiperidin-1-yl)pentanoate
CID 103898050
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509
2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]pentanoic acid
CID 83043141
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
ethyl 2-(4-piperidin-1-ylpiperidin-1-yl)pentanoate
CID 78964155
ethyl 1-(1-ethoxy-1-oxobutan-2-yl)piperidine-3-carboxylate
CID 64663416
ethyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 83048861
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
ethyl 2-[(3R)-3-methylpiperazin-1-yl]pentanoate
CID 104975735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate?
The IUPAC name of ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate (CID 83049640) is ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate is CCCC(C(=O)OCC)N1CCCC(CN)C1.
What is the InChIKey of ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate?
The InChIKey is VOKWQLGUWXTUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-6-12(13(16)17-4-2)15-8-5-7-11(9-14)10-15/h11-12H,3-10,14H2,1-2H3.
What are the key properties of ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate?
ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate has a molecular weight of 242.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(aminomethyl)piperidin-1-yl]pentanoate is sourced from PubChem (CID 83049640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).