3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one

C10H19NO2 — CID 142607349

IUPAC3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one
SMILESCOCCC(=O)C1CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-11-6-3-9(4-7-11)10(12)5-8-13-2/h9H,3-8H2,1-2H3
InChIKeyHFEPFZNANDPALF-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds4

About 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one

3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one (PubChem CID 142607349) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one
PubChem CID142607349
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one
SMILESCOCCC(=O)C1CCN(C)CC1
InChIInChI=1S/C10H19NO2/c1-11-6-3-9(4-7-11)10(12)5-8-13-2/h9H,3-8H2,1-2H3
InChIKeyHFEPFZNANDPALF-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one (CID 142607349) is 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one is COCCC(=O)C1CCN(C)CC1.
What is the InChIKey of 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one?
The InChIKey is HFEPFZNANDPALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11-6-3-9(4-7-11)10(12)5-8-13-2/h9H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one?
3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(1-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 142607349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).