1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one

C14H27NO2 — CID 63972977

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
SMILESCOCC1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)13(16)7-10-15-8-5-12(6-9-15)11-17-4/h12H,5-11H2,1-4H3
InChIKeyNGXSSDJJGHEPGV-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.35
Rot. Bonds5

About 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one

1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one (PubChem CID 63972977) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
PubChem CID63972977
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
SMILESCOCC1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-14(2,3)13(16)7-10-15-8-5-12(6-9-15)11-17-4/h12H,5-11H2,1-4H3
InChIKeyNGXSSDJJGHEPGV-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one (CID 63972977) is 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one is COCC1CCN(CCC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
The InChIKey is NGXSSDJJGHEPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-14(2,3)13(16)7-10-15-8-5-12(6-9-15)11-17-4/h12H,5-11H2,1-4H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one?
1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one has a molecular weight of 241.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one is sourced from PubChem (CID 63972977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).