2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

C16H30N2O2 — CID 110876285

IUPAC2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCN1CCC(OC2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)15(19)18-11-7-14(8-12-18)20-13-5-9-17(4)10-6-13/h13-14H,5-12H2,1-4H3
InChIKeyBZAMOOWYRTZLMT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.13
Rot. Bonds2

About 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (PubChem CID 110876285) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
PubChem CID110876285
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
SMILESCN1CCC(OC2CCN(C(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)15(19)18-11-7-14(8-12-18)20-13-5-9-17(4)10-6-13/h13-14H,5-12H2,1-4H3
InChIKeyBZAMOOWYRTZLMT-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one (CID 110876285) is 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is CN1CCC(OC2CCN(C(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
The InChIKey is BZAMOOWYRTZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)15(19)18-11-7-14(8-12-18)20-13-5-9-17(4)10-6-13/h13-14H,5-12H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 110876285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).