methyl 2-piperidin-1-ylpropanoate

C9H17NO2 — CID 12957458

IUPACmethyl 2-piperidin-1-ylpropanoate
SMILESCOC(=O)C(C)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(9(11)12-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyXVKIWLKINNPHOU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About methyl 2-piperidin-1-ylpropanoate

methyl 2-piperidin-1-ylpropanoate (PubChem CID 12957458) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 2-piperidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-piperidin-1-ylpropanoate
PubChem CID12957458
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 2-piperidin-1-ylpropanoate
SMILESCOC(=O)C(C)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(9(11)12-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyXVKIWLKINNPHOU-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
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-ylpropanoate?
The IUPAC name of methyl 2-piperidin-1-ylpropanoate (CID 12957458) is methyl 2-piperidin-1-ylpropanoate.
What is the SMILES notation for methyl 2-piperidin-1-ylpropanoate?
The canonical SMILES for methyl 2-piperidin-1-ylpropanoate is COC(=O)C(C)N1CCCCC1.
What is the InChIKey of methyl 2-piperidin-1-ylpropanoate?
The InChIKey is XVKIWLKINNPHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(9(11)12-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-piperidin-1-ylpropanoate?
methyl 2-piperidin-1-ylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-1-ylpropanoate is sourced from PubChem (CID 12957458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).