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2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol

C16H25NO — CID 117025569

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
SMILESCC1(C)CCN(Cc2ccccc2)CC1CCO
InChIInChI=1S/C16H25NO/c1-16(2)9-10-17(13-15(16)8-11-18)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyWKBABGWMHYFIOB-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.92
Rot. Bonds4

About 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol

2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol (PubChem CID 117025569) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
PubChem CID117025569
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol
SMILESCC1(C)CCN(Cc2ccccc2)CC1CCO
InChIInChI=1S/C16H25NO/c1-16(2)9-10-17(13-15(16)8-11-18)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3
InChIKeyWKBABGWMHYFIOB-UHFFFAOYSA-N
XLogP2.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol (CID 117025569) is 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol is CC1(C)CCN(Cc2ccccc2)CC1CCO.
What is the InChIKey of 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol?
The InChIKey is WKBABGWMHYFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)9-10-17(13-15(16)8-11-18)12-14-6-4-3-5-7-14/h3-7,15,18H,8-13H2,1-2H3.
What are the key properties of 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol?
2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol has a molecular weight of 247.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4,4-dimethylpiperidin-3-yl)ethanol is sourced from PubChem (CID 117025569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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