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

C11H21NO2 — CID 62043112

IUPAC1-(4-methoxypiperidin-1-yl)pentan-2-one
SMILESCCCC(=O)CN1CCC(OC)CC1
InChIInChI=1S/C11H21NO2/c1-3-4-10(13)9-12-7-5-11(14-2)6-8-12/h11H,3-9H2,1-2H3
InChIKeyQKWXZDZRBNAJPN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.47
Rot. Bonds5

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

1-(4-methoxypiperidin-1-yl)pentan-2-one (PubChem CID 62043112) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)pentan-2-one
PubChem CID62043112
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(4-methoxypiperidin-1-yl)pentan-2-one
SMILESCCCC(=O)CN1CCC(OC)CC1
InChIInChI=1S/C11H21NO2/c1-3-4-10(13)9-12-7-5-11(14-2)6-8-12/h11H,3-9H2,1-2H3
InChIKeyQKWXZDZRBNAJPN-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)pentan-2-one?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)pentan-2-one (CID 62043112) is 1-(4-methoxypiperidin-1-yl)pentan-2-one.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)pentan-2-one?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)pentan-2-one is CCCC(=O)CN1CCC(OC)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)pentan-2-one?
The InChIKey is QKWXZDZRBNAJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-4-10(13)9-12-7-5-11(14-2)6-8-12/h11H,3-9H2,1-2H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)pentan-2-one?
1-(4-methoxypiperidin-1-yl)pentan-2-one has a molecular weight of 199.29 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)pentan-2-one is sourced from PubChem (CID 62043112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).