1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one

C17H34N2O2 — CID 171800204

IUPAC1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one
SMILESCC(CCN(C)C)OCC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-14(2)17(20)12-19-10-7-16(8-11-19)13-21-15(3)6-9-18(4)5/h14-16H,6-13H2,1-5H3
InChIKeyLVKYAMOXAHQXDS-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.28
Rot. Bonds9

About 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one

1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one (PubChem CID 171800204) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one
PubChem CID171800204
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one
SMILESCC(CCN(C)C)OCC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-14(2)17(20)12-19-10-7-16(8-11-19)13-21-15(3)6-9-18(4)5/h14-16H,6-13H2,1-5H3
InChIKeyLVKYAMOXAHQXDS-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one (CID 171800204) is 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one is CC(CCN(C)C)OCC1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one?
The InChIKey is LVKYAMOXAHQXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)17(20)12-19-10-7-16(8-11-19)13-21-15(3)6-9-18(4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one?
1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one has a molecular weight of 298.47 g/mol, XLogP of 2.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(dimethylamino)butan-2-yloxymethyl]piperidin-1-yl]-3-methylbutan-2-one is sourced from PubChem (CID 171800204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).