methyl 2-piperidin-1-ylbutanoate

C10H19NO2 — CID 11435364

IUPACmethyl 2-piperidin-1-ylbutanoate
SMILESCCC(C(=O)OC)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(10(12)13-2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyKWEMNZJZFGSVRN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds3

About methyl 2-piperidin-1-ylbutanoate

methyl 2-piperidin-1-ylbutanoate (PubChem CID 11435364) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-piperidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-piperidin-1-ylbutanoate
PubChem CID11435364
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-piperidin-1-ylbutanoate
SMILESCCC(C(=O)OC)N1CCCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(10(12)13-2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3
InChIKeyKWEMNZJZFGSVRN-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-1-ylbutanoate?
The IUPAC name of methyl 2-piperidin-1-ylbutanoate (CID 11435364) is methyl 2-piperidin-1-ylbutanoate.
What is the SMILES notation for methyl 2-piperidin-1-ylbutanoate?
The canonical SMILES for methyl 2-piperidin-1-ylbutanoate is CCC(C(=O)OC)N1CCCCC1.
What is the InChIKey of methyl 2-piperidin-1-ylbutanoate?
The InChIKey is KWEMNZJZFGSVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(10(12)13-2)11-7-5-4-6-8-11/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-piperidin-1-ylbutanoate?
methyl 2-piperidin-1-ylbutanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-1-ylbutanoate is sourced from PubChem (CID 11435364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).