butyl 2-(4-aminopiperidin-1-yl)acetate

C11H22N2O2 — CID 10608685

IUPACbutyl 2-(4-aminopiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-8-15-11(14)9-13-6-4-10(12)5-7-13/h10H,2-9,12H2,1H3
InChIKeyRYHBZXUGJJEVBJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.75
Rot. Bonds5

About butyl 2-(4-aminopiperidin-1-yl)acetate

butyl 2-(4-aminopiperidin-1-yl)acetate (PubChem CID 10608685) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is butyl 2-(4-aminopiperidin-1-yl)acetate.

Molecular Properties

Compound Namebutyl 2-(4-aminopiperidin-1-yl)acetate
PubChem CID10608685
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namebutyl 2-(4-aminopiperidin-1-yl)acetate
SMILESCCCCOC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-2-3-8-15-11(14)9-13-6-4-10(12)5-7-13/h10H,2-9,12H2,1H3
InChIKeyRYHBZXUGJJEVBJ-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(4-aminopiperidin-1-yl)acetate?
The IUPAC name of butyl 2-(4-aminopiperidin-1-yl)acetate (CID 10608685) is butyl 2-(4-aminopiperidin-1-yl)acetate.
What is the SMILES notation for butyl 2-(4-aminopiperidin-1-yl)acetate?
The canonical SMILES for butyl 2-(4-aminopiperidin-1-yl)acetate is CCCCOC(=O)CN1CCC(N)CC1.
What is the InChIKey of butyl 2-(4-aminopiperidin-1-yl)acetate?
The InChIKey is RYHBZXUGJJEVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-8-15-11(14)9-13-6-4-10(12)5-7-13/h10H,2-9,12H2,1H3.
What are the key properties of butyl 2-(4-aminopiperidin-1-yl)acetate?
butyl 2-(4-aminopiperidin-1-yl)acetate has a molecular weight of 214.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(4-aminopiperidin-1-yl)acetate is sourced from PubChem (CID 10608685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).