4-(4-methoxypiperidin-1-yl)pentan-2-one

C11H21NO2 — CID 64699120

IUPAC4-(4-methoxypiperidin-1-yl)pentan-2-one
SMILESCOC1CCN(C(C)CC(C)=O)CC1
InChIInChI=1S/C11H21NO2/c1-9(8-10(2)13)12-6-4-11(14-3)5-7-12/h9,11H,4-8H2,1-3H3
InChIKeyBSSCLMPPFOHVKL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.46
Rot. Bonds4

About 4-(4-methoxypiperidin-1-yl)pentan-2-one

4-(4-methoxypiperidin-1-yl)pentan-2-one (PubChem CID 64699120) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)pentan-2-one
PubChem CID64699120
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(4-methoxypiperidin-1-yl)pentan-2-one
SMILESCOC1CCN(C(C)CC(C)=O)CC1
InChIInChI=1S/C11H21NO2/c1-9(8-10(2)13)12-6-4-11(14-3)5-7-12/h9,11H,4-8H2,1-3H3
InChIKeyBSSCLMPPFOHVKL-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)pentan-2-one?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)pentan-2-one (CID 64699120) is 4-(4-methoxypiperidin-1-yl)pentan-2-one.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)pentan-2-one?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)pentan-2-one is COC1CCN(C(C)CC(C)=O)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)pentan-2-one?
The InChIKey is BSSCLMPPFOHVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(8-10(2)13)12-6-4-11(14-3)5-7-12/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)pentan-2-one?
4-(4-methoxypiperidin-1-yl)pentan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)pentan-2-one is sourced from PubChem (CID 64699120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).