methyl 3-(4-aminopiperidin-1-yl)pentanoate

C11H22N2O2 — CID 112709356

IUPACmethyl 3-(4-aminopiperidin-1-yl)pentanoate
SMILESCCC(CC(=O)OC)N1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-3-10(8-11(14)15-2)13-6-4-9(12)5-7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyQSNXHOLGZASBEK-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds4

About methyl 3-(4-aminopiperidin-1-yl)pentanoate

methyl 3-(4-aminopiperidin-1-yl)pentanoate (PubChem CID 112709356) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 3-(4-aminopiperidin-1-yl)pentanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminopiperidin-1-yl)pentanoate
PubChem CID112709356
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 3-(4-aminopiperidin-1-yl)pentanoate
SMILESCCC(CC(=O)OC)N1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-3-10(8-11(14)15-2)13-6-4-9(12)5-7-13/h9-10H,3-8,12H2,1-2H3
InChIKeyQSNXHOLGZASBEK-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-piperidin-1-ylpentanoate
CID 14178339
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
CID 80552988
methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
CID 79406986
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310
dimethyl 2-(4-methylpiperidin-1-yl)butanedioate
CID 18801785
1-heptan-4-ylpiperidin-4-amine
CID 29009442
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
3-(4-aminopiperidin-1-yl)butanoic acid
CID 43556886
methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
CID 119374175
3-(3-methoxypyrrolidin-1-yl)pentanoic acid
CID 103540425
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminopiperidin-1-yl)pentanoate?
The IUPAC name of methyl 3-(4-aminopiperidin-1-yl)pentanoate (CID 112709356) is methyl 3-(4-aminopiperidin-1-yl)pentanoate.
What is the SMILES notation for methyl 3-(4-aminopiperidin-1-yl)pentanoate?
The canonical SMILES for methyl 3-(4-aminopiperidin-1-yl)pentanoate is CCC(CC(=O)OC)N1CCC(N)CC1.
What is the InChIKey of methyl 3-(4-aminopiperidin-1-yl)pentanoate?
The InChIKey is QSNXHOLGZASBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10(8-11(14)15-2)13-6-4-9(12)5-7-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of methyl 3-(4-aminopiperidin-1-yl)pentanoate?
methyl 3-(4-aminopiperidin-1-yl)pentanoate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminopiperidin-1-yl)pentanoate is sourced from PubChem (CID 112709356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).