(4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone

C18H27NO2 — CID 23723870

IUPAC(4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2cc(C)c(OC)c(C)c2)C1
InChIInChI=1S/C18H27NO2/c1-5-8-19-9-6-7-15(12-19)17(20)16-10-13(2)18(21-4)14(3)11-16/h10-11,15H,5-9,12H2,1-4H3
InChIKeyWIFQZKFWPZEZCK-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds5

About (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone

(4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone (PubChem CID 23723870) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone
PubChem CID23723870
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2cc(C)c(OC)c(C)c2)C1
InChIInChI=1S/C18H27NO2/c1-5-8-19-9-6-7-15(12-19)17(20)16-10-13(2)18(21-4)14(3)11-16/h10-11,15H,5-9,12H2,1-4H3
InChIKeyWIFQZKFWPZEZCK-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone (CID 23723870) is (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone is CCCN1CCCC(C(=O)c2cc(C)c(OC)c(C)c2)C1.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
The InChIKey is WIFQZKFWPZEZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-8-19-9-6-7-15(12-19)17(20)16-10-13(2)18(21-4)14(3)11-16/h10-11,15H,5-9,12H2,1-4H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone?
(4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 23723870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).