2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone

C18H27NO — CID 58070201

IUPAC2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone
SMILESCCCN1CCCC[C@H]1C(=O)Cc1c(C)cccc1C
InChIInChI=1S/C18H27NO/c1-4-11-19-12-6-5-10-17(19)18(20)13-16-14(2)8-7-9-15(16)3/h7-9,17H,4-6,10-13H2,1-3H3/t17-/m0/s1
InChIKeyCLFLNOMAWKAGCC-KRWDZBQOSA-N
MW273.42 g/mol
LogP3.68
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone

2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone (PubChem CID 58070201) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone
PubChem CID58070201
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone
SMILESCCCN1CCCC[C@H]1C(=O)Cc1c(C)cccc1C
InChIInChI=1S/C18H27NO/c1-4-11-19-12-6-5-10-17(19)18(20)13-16-14(2)8-7-9-15(16)3/h7-9,17H,4-6,10-13H2,1-3H3/t17-/m0/s1
InChIKeyCLFLNOMAWKAGCC-KRWDZBQOSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone (CID 58070201) is 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone is CCCN1CCCC[C@H]1C(=O)Cc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone?
The InChIKey is CLFLNOMAWKAGCC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-11-19-12-6-5-10-17(19)18(20)13-16-14(2)8-7-9-15(16)3/h7-9,17H,4-6,10-13H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone?
2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone has a molecular weight of 273.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-[(2S)-1-propylpiperidin-2-yl]ethanone is sourced from PubChem (CID 58070201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).