4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one

C14H27NO2 — CID 160772914

IUPAC4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
SMILESCOC(C)CCC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11(2)15-9-7-13(8-10-15)14(16)6-5-12(3)17-4/h11-13H,5-10H2,1-4H3
InChIKeyBGAYBZZPXMYIJE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one

4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one (PubChem CID 160772914) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
PubChem CID160772914
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one
SMILESCOC(C)CCC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C14H27NO2/c1-11(2)15-9-7-13(8-10-15)14(16)6-5-12(3)17-4/h11-13H,5-10H2,1-4H3
InChIKeyBGAYBZZPXMYIJE-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The IUPAC name of 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one (CID 160772914) is 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one is COC(C)CCC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
The InChIKey is BGAYBZZPXMYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)15-9-7-13(8-10-15)14(16)6-5-12(3)17-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one?
4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 160772914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).