ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate

C14H28N2O3 — CID 112622706

IUPACethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCC(OC)CC1CN
InChIInChI=1S/C14H28N2O3/c1-4-6-13(14(17)19-5-2)16-8-7-12(18-3)9-11(16)10-15/h11-13H,4-10,15H2,1-3H3
InChIKeyFPJLHZBUDFENMY-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.16
Rot. Bonds7

About ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate

ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate (PubChem CID 112622706) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate
PubChem CID112622706
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate
SMILESCCCC(C(=O)OCC)N1CCC(OC)CC1CN
InChIInChI=1S/C14H28N2O3/c1-4-6-13(14(17)19-5-2)16-8-7-12(18-3)9-11(16)10-15/h11-13H,4-10,15H2,1-3H3
InChIKeyFPJLHZBUDFENMY-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-pentan-2-ylacetamide
CID 112622625
ethyl 2-(2-ethylpyrrolidin-1-yl)pentanoate
CID 83042014
[4-methoxy-1-(1-methoxybutan-2-yl)piperidin-2-yl]methanamine
CID 112622134
ethyl 2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]pentanoate
CID 115758761
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethanone
CID 112622267
ethyl 2-(2-propan-2-ylpyrrolidin-1-yl)pentanoate
CID 83041509
methyl 3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-methylpropanoate
CID 112622716
(4-methoxy-1-nonylpiperidin-2-yl)methanamine
CID 112622577
2-(aminomethyl)-4-methoxy-N-methylpiperidine-1-carboxamide
CID 112622411
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 112622266
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]but-3-en-1-one
CID 112622247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate?
The IUPAC name of ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate (CID 112622706) is ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate.
What is the SMILES notation for ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate?
The canonical SMILES for ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate is CCCC(C(=O)OCC)N1CCC(OC)CC1CN.
What is the InChIKey of ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate?
The InChIKey is FPJLHZBUDFENMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-6-13(14(17)19-5-2)16-8-7-12(18-3)9-11(16)10-15/h11-13H,4-10,15H2,1-3H3.
What are the key properties of ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate?
ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate is sourced from PubChem (CID 112622706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).