4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one

C14H28N2O2 — CID 53150899

IUPAC4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
SMILESCOCCC1CCN(C(=O)CCCN(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-15(2)9-4-5-14(17)16-10-6-13(7-11-16)8-12-18-3/h13H,4-12H2,1-3H3
InChIKeyGZOHCZPQBZESEM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds7

About 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one

4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 53150899) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
PubChem CID53150899
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one
SMILESCOCCC1CCN(C(=O)CCCN(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-15(2)9-4-5-14(17)16-10-6-13(7-11-16)8-12-18-3/h13H,4-12H2,1-3H3
InChIKeyGZOHCZPQBZESEM-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one (CID 53150899) is 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one is COCCC1CCN(C(=O)CCCN(C)C)CC1.
What is the InChIKey of 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is GZOHCZPQBZESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-15(2)9-4-5-14(17)16-10-6-13(7-11-16)8-12-18-3/h13H,4-12H2,1-3H3.
What are the key properties of 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one?
4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[4-(2-methoxyethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 53150899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).