(1-(111C)methylpiperidin-4-yl) propanoate

C9H17NO2 — CID 6540307

IUPAC(1-(111C)methylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN([11CH3])CC1
InChIInChI=1S/C9H17NO2/c1-3-9(11)12-8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3/i2-1
InChIKeyOVQSLAXVKJVHJO-JVVVGQRLSA-N
MW170.24 g/mol
LogP1.03
Rot. Bonds2

About (1-(111C)methylpiperidin-4-yl) propanoate

(1-(111C)methylpiperidin-4-yl) propanoate (PubChem CID 6540307) has the molecular formula C9H17NO2 and a molecular weight of 170.24 g/mol. Its IUPAC name is (1-(111C)methylpiperidin-4-yl) propanoate.

Molecular Properties

Compound Name(1-(111C)methylpiperidin-4-yl) propanoate
PubChem CID6540307
Molecular FormulaC9H17NO2
Molecular Weight170.24 g/mol
Exact Mass170.14
IUPAC Name(1-(111C)methylpiperidin-4-yl) propanoate
SMILESCCC(=O)OC1CCN([11CH3])CC1
InChIInChI=1S/C9H17NO2/c1-3-9(11)12-8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3/i2-1
InChIKeyOVQSLAXVKJVHJO-JVVVGQRLSA-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 ≤ 500170.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-(111C)methylpiperidin-4-yl) propanoate?
The IUPAC name of (1-(111C)methylpiperidin-4-yl) propanoate (CID 6540307) is (1-(111C)methylpiperidin-4-yl) propanoate.
What is the SMILES notation for (1-(111C)methylpiperidin-4-yl) propanoate?
The canonical SMILES for (1-(111C)methylpiperidin-4-yl) propanoate is CCC(=O)OC1CCN([11CH3])CC1.
What is the InChIKey of (1-(111C)methylpiperidin-4-yl) propanoate?
The InChIKey is OVQSLAXVKJVHJO-JVVVGQRLSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(11)12-8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3/i2-1.
What are the key properties of (1-(111C)methylpiperidin-4-yl) propanoate?
(1-(111C)methylpiperidin-4-yl) propanoate has a molecular weight of 170.24 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 (1-(111C)methylpiperidin-4-yl) propanoate is sourced from PubChem (CID 6540307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).