2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one

C12H21NO2 — CID 62613844

IUPAC2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one
SMILESCOC1CCN(CC2CCCC2=O)CC1
InChIInChI=1S/C12H21NO2/c1-15-11-5-7-13(8-6-11)9-10-3-2-4-12(10)14/h10-11H,2-9H2,1H3
InChIKeyHLDUZYNTBJQZEP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds3

About 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one

2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one (PubChem CID 62613844) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one
PubChem CID62613844
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one
SMILESCOC1CCN(CC2CCCC2=O)CC1
InChIInChI=1S/C12H21NO2/c1-15-11-5-7-13(8-6-11)9-10-3-2-4-12(10)14/h10-11H,2-9H2,1H3
InChIKeyHLDUZYNTBJQZEP-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one (CID 62613844) is 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one is COC1CCN(CC2CCCC2=O)CC1.
What is the InChIKey of 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one?
The InChIKey is HLDUZYNTBJQZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-11-5-7-13(8-6-11)9-10-3-2-4-12(10)14/h10-11H,2-9H2,1H3.
What are the key properties of 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one?
2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypiperidin-1-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 62613844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).