1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one

C18H27NO — CID 58256894

IUPAC1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
SMILESCCC1CCN(c2ccc(C(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-5-14-10-12-19(13-11-14)16-8-6-15(7-9-16)17(20)18(2,3)4/h6-9,14H,5,10-13H2,1-4H3
InChIKeyBZWKTKFKYCBYRF-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.54
Rot. Bonds3

About 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one

1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one (PubChem CID 58256894) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
PubChem CID58256894
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
SMILESCCC1CCN(c2ccc(C(=O)C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H27NO/c1-5-14-10-12-19(13-11-14)16-8-6-15(7-9-16)17(20)18(2,3)4/h6-9,14H,5,10-13H2,1-4H3
InChIKeyBZWKTKFKYCBYRF-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one (CID 58256894) is 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one is CCC1CCN(c2ccc(C(=O)C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is BZWKTKFKYCBYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-14-10-12-19(13-11-14)16-8-6-15(7-9-16)17(20)18(2,3)4/h6-9,14H,5,10-13H2,1-4H3.
What are the key properties of 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one?
1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58256894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).