2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone

C18H27NO — CID 43219533

IUPAC2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2C(C)CCCC2C)cc1
InChIInChI=1S/C18H27NO/c1-4-6-16-9-11-17(12-10-16)18(20)13-19-14(2)7-5-8-15(19)3/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyVUGQCJZPLWXDSY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.08
Rot. Bonds5

About 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone

2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone (PubChem CID 43219533) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone
PubChem CID43219533
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone
SMILESCCCc1ccc(C(=O)CN2C(C)CCCC2C)cc1
InChIInChI=1S/C18H27NO/c1-4-6-16-9-11-17(12-10-16)18(20)13-19-14(2)7-5-8-15(19)3/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyVUGQCJZPLWXDSY-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(3,4-dimethylphenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 93026208
3-[2-oxo-2-(4-propylphenyl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835873
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-propylphenyl)ethanone
CID 116635374
(2-methylaziridin-1-yl)-(4-propylphenyl)methanone
CID 22282369
5-cyclopropyl-5-ethyl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 86815336
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(4-propylphenyl)ethanone
CID 102933617
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone?
The IUPAC name of 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone (CID 43219533) is 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone?
The canonical SMILES for 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone is CCCc1ccc(C(=O)CN2C(C)CCCC2C)cc1.
What is the InChIKey of 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone?
The InChIKey is VUGQCJZPLWXDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-6-16-9-11-17(12-10-16)18(20)13-19-14(2)7-5-8-15(19)3/h9-12,14-15H,4-8,13H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone?
2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone has a molecular weight of 273.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperidin-1-yl)-1-(4-propylphenyl)ethanone is sourced from PubChem (CID 43219533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).