1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone

C19H27NO — CID 170049397

IUPAC1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone
SMILESC=Cc1ccc(C)c(C2(C(C)=O)CCN(C(C)C)CC2)c1
InChIInChI=1S/C19H27NO/c1-6-17-8-7-15(4)18(13-17)19(16(5)21)9-11-20(12-10-19)14(2)3/h6-8,13-14H,1,9-12H2,2-5H3
InChIKeyHWGWTWQQJIZEKN-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.97
Rot. Bonds4

About 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone

1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone (PubChem CID 170049397) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone
PubChem CID170049397
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone
SMILESC=Cc1ccc(C)c(C2(C(C)=O)CCN(C(C)C)CC2)c1
InChIInChI=1S/C19H27NO/c1-6-17-8-7-15(4)18(13-17)19(16(5)21)9-11-20(12-10-19)14(2)3/h6-8,13-14H,1,9-12H2,2-5H3
InChIKeyHWGWTWQQJIZEKN-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone (CID 170049397) is 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone is C=Cc1ccc(C)c(C2(C(C)=O)CCN(C(C)C)CC2)c1.
What is the InChIKey of 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone?
The InChIKey is HWGWTWQQJIZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-6-17-8-7-15(4)18(13-17)19(16(5)21)9-11-20(12-10-19)14(2)3/h6-8,13-14H,1,9-12H2,2-5H3.
What are the key properties of 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone?
1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone has a molecular weight of 285.43 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethenyl-2-methylphenyl)-1-propan-2-ylpiperidin-4-yl]ethanone is sourced from PubChem (CID 170049397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).