1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one

C18H27NO2 — CID 566846

IUPAC1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCCCC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-3-13-21-16-7-8-17(15(2)14-16)18(20)9-12-19-10-5-4-6-11-19/h7-8,14H,3-6,9-13H2,1-2H3
InChIKeyVSLCCPHUJCGPFV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds7

About 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one

1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one (PubChem CID 566846) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
PubChem CID566846
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)CCN2CCCCC2)c(C)c1
InChIInChI=1S/C18H27NO2/c1-3-13-21-16-7-8-17(15(2)14-16)18(20)9-12-19-10-5-4-6-11-19/h7-8,14H,3-6,9-13H2,1-2H3
InChIKeyVSLCCPHUJCGPFV-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527
1-[2-hydroxy-4-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
CID 30266
2,2-dimethyl-1-[2-methyl-4-(2-piperidin-1-ylethoxy)phenyl]propan-1-one
CID 166906888
1-(2-methyl-4-propoxyphenyl)-2-piperazin-1-ylethanone
CID 82264526
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
3-(azepan-1-yl)-1-(4-ethoxy-2,6-dimethylphenyl)propan-1-one
CID 82053134
1-(2,6-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266630
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
2-piperidin-1-ylethyl 4-butoxy-2-(2-piperidin-1-ylethyl)benzoate
CID 90023939
2-methyl-4-propoxybenzoyl chloride
CID 82631959
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073354

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one (CID 566846) is 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one is CCCOc1ccc(C(=O)CCN2CCCCC2)c(C)c1.
What is the InChIKey of 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is VSLCCPHUJCGPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-13-21-16-7-8-17(15(2)14-16)18(20)9-12-19-10-5-4-6-11-19/h7-8,14H,3-6,9-13H2,1-2H3.
What are the key properties of 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one?
1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 566846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).