4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one

C13H25NO2 — CID 107395040

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCOC1(C)CCCN(CC(C)(C)C(C)=O)C1
InChIInChI=1S/C13H25NO2/c1-11(15)12(2,3)9-14-8-6-7-13(4,10-14)16-5/h6-10H2,1-5H3
InChIKeySFRJDAIIOSDKQH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.10
Rot. Bonds4

About 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one

4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one (PubChem CID 107395040) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
PubChem CID107395040
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
SMILESCOC1(C)CCCN(CC(C)(C)C(C)=O)C1
InChIInChI=1S/C13H25NO2/c1-11(15)12(2,3)9-14-8-6-7-13(4,10-14)16-5/h6-10H2,1-5H3
InChIKeySFRJDAIIOSDKQH-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one (CID 107395040) is 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one is COC1(C)CCCN(CC(C)(C)C(C)=O)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
The InChIKey is SFRJDAIIOSDKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(15)12(2,3)9-14-8-6-7-13(4,10-14)16-5/h6-10H2,1-5H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one?
4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one has a molecular weight of 227.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 107395040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).