methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate

C12H24N2O2 — CID 83989416

IUPACmethyl 2-(3-amino-5-butylpiperidin-1-yl)acetate
SMILESCCCCC1CC(N)CN(CC(=O)OC)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-10-6-11(13)8-14(7-10)9-12(15)16-2/h10-11H,3-9,13H2,1-2H3
InChIKeyCBKAFQOFELMDNT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds5

About methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate

methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate (PubChem CID 83989416) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-5-butylpiperidin-1-yl)acetate
PubChem CID83989416
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-(3-amino-5-butylpiperidin-1-yl)acetate
SMILESCCCCC1CC(N)CN(CC(=O)OC)C1
InChIInChI=1S/C12H24N2O2/c1-3-4-5-10-6-11(13)8-14(7-10)9-12(15)16-2/h10-11H,3-9,13H2,1-2H3
InChIKeyCBKAFQOFELMDNT-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate (CID 83989416) is methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate is CCCCC1CC(N)CN(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate?
The InChIKey is CBKAFQOFELMDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-5-10-6-11(13)8-14(7-10)9-12(15)16-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate?
methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate has a molecular weight of 228.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate is sourced from PubChem (CID 83989416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).