methyl 3-piperidin-3-ylbutanoate

C10H19NO2 — CID 81046870

IUPACmethyl 3-piperidin-3-ylbutanoate
SMILESCOC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C10H19NO2/c1-8(6-10(12)13-2)9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyXWBFPROXEIQEGQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.19
Rot. Bonds3

About methyl 3-piperidin-3-ylbutanoate

methyl 3-piperidin-3-ylbutanoate (PubChem CID 81046870) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-piperidin-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-piperidin-3-ylbutanoate
PubChem CID81046870
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-piperidin-3-ylbutanoate
SMILESCOC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C10H19NO2/c1-8(6-10(12)13-2)9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyXWBFPROXEIQEGQ-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-3-ylbutanoate?
The IUPAC name of methyl 3-piperidin-3-ylbutanoate (CID 81046870) is methyl 3-piperidin-3-ylbutanoate.
What is the SMILES notation for methyl 3-piperidin-3-ylbutanoate?
The canonical SMILES for methyl 3-piperidin-3-ylbutanoate is COC(=O)CC(C)C1CCCNC1.
What is the InChIKey of methyl 3-piperidin-3-ylbutanoate?
The InChIKey is XWBFPROXEIQEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(6-10(12)13-2)9-4-3-5-11-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 3-piperidin-3-ylbutanoate?
methyl 3-piperidin-3-ylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-3-ylbutanoate is sourced from PubChem (CID 81046870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).