2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one

C14H27NO2 — CID 86848429

IUPAC2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC(C)CCOC(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)7-9-17-13(4)14(16)15-8-5-6-12(3)10-15/h11-13H,5-10H2,1-4H3
InChIKeyQRGJPVQBQIJIBQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one

2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 86848429) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID86848429
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC(C)CCOC(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)7-9-17-13(4)14(16)15-8-5-6-12(3)10-15/h11-13H,5-10H2,1-4H3
InChIKeyQRGJPVQBQIJIBQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 86848429) is 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one is CC(C)CCOC(C)C(=O)N1CCCC(C)C1.
What is the InChIKey of 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is QRGJPVQBQIJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)7-9-17-13(4)14(16)15-8-5-6-12(3)10-15/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one?
2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 86848429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).