4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one

C20H31NO2 — CID 18626405

IUPAC4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
SMILESCCCC1(OC)CCN(CCCC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H31NO2/c1-4-11-20(23-3)12-15-21(16-13-20)14-7-10-19(22)18-9-6-5-8-17(18)2/h5-6,8-9H,4,7,10-16H2,1-3H3
InChIKeyLFVGXASMOOPQCC-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.24
Rot. Bonds8

About 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one

4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one (PubChem CID 18626405) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
PubChem CID18626405
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
SMILESCCCC1(OC)CCN(CCCC(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H31NO2/c1-4-11-20(23-3)12-15-21(16-13-20)14-7-10-19(22)18-9-6-5-8-17(18)2/h5-6,8-9H,4,7,10-16H2,1-3H3
InChIKeyLFVGXASMOOPQCC-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
The IUPAC name of 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one (CID 18626405) is 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one.
What is the SMILES notation for 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
The canonical SMILES for 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one is CCCC1(OC)CCN(CCCC(=O)c2ccccc2C)CC1.
What is the InChIKey of 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
The InChIKey is LFVGXASMOOPQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-4-11-20(23-3)12-15-21(16-13-20)14-7-10-19(22)18-9-6-5-8-17(18)2/h5-6,8-9H,4,7,10-16H2,1-3H3.
What are the key properties of 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one?
4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one has a molecular weight of 317.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-4-propylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one is sourced from PubChem (CID 18626405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).