methyl 4-piperidin-4-ylbutanoate

C10H19NO2 — CID 21462751

IUPACmethyl 4-piperidin-4-ylbutanoate
SMILESCOC(=O)CCCC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-13-10(12)4-2-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3
InChIKeyLOIQBPKYXVFRJE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds4

About methyl 4-piperidin-4-ylbutanoate

methyl 4-piperidin-4-ylbutanoate (PubChem CID 21462751) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 4-piperidin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-piperidin-4-ylbutanoate
PubChem CID21462751
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 4-piperidin-4-ylbutanoate
SMILESCOC(=O)CCCC1CCNCC1
InChIInChI=1S/C10H19NO2/c1-13-10(12)4-2-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3
InChIKeyLOIQBPKYXVFRJE-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-piperidin-4-ylbutanoate?
The IUPAC name of methyl 4-piperidin-4-ylbutanoate (CID 21462751) is methyl 4-piperidin-4-ylbutanoate.
What is the SMILES notation for methyl 4-piperidin-4-ylbutanoate?
The canonical SMILES for methyl 4-piperidin-4-ylbutanoate is COC(=O)CCCC1CCNCC1.
What is the InChIKey of methyl 4-piperidin-4-ylbutanoate?
The InChIKey is LOIQBPKYXVFRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-13-10(12)4-2-3-9-5-7-11-8-6-9/h9,11H,2-8H2,1H3.
What are the key properties of methyl 4-piperidin-4-ylbutanoate?
methyl 4-piperidin-4-ylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-piperidin-4-ylbutanoate is sourced from PubChem (CID 21462751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).