2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol

C17H27NO — CID 117020439

IUPAC2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
SMILESCc1cc(C)cc(N2CCC(CCO)CC2(C)C)c1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)18-7-5-15(6-8-19)12-17(18,3)4/h9-11,15,19H,5-8,12H2,1-4H3
InChIKeyAIPXNDPMOCOXCT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.68
Rot. Bonds3

About 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol

2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol (PubChem CID 117020439) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
PubChem CID117020439
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol
SMILESCc1cc(C)cc(N2CCC(CCO)CC2(C)C)c1
InChIInChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)18-7-5-15(6-8-19)12-17(18,3)4/h9-11,15,19H,5-8,12H2,1-4H3
InChIKeyAIPXNDPMOCOXCT-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol (CID 117020439) is 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol is Cc1cc(C)cc(N2CCC(CCO)CC2(C)C)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol?
The InChIKey is AIPXNDPMOCOXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-9-14(2)11-16(10-13)18-7-5-15(6-8-19)12-17(18,3)4/h9-11,15,19H,5-8,12H2,1-4H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol?
2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]ethanol is sourced from PubChem (CID 117020439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).