1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol

C15H23NO — CID 79560663

IUPAC1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
SMILESCc1ccc(C)c(C(O)CC2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-11-6-7-12(2)14(9-11)15(17)10-13-5-3-4-8-16-13/h6-7,9,13,15-17H,3-5,8,10H2,1-2H3
InChIKeyWRDJGJYTBKUSLP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.87
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol

1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol (PubChem CID 79560663) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
PubChem CID79560663
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
SMILESCc1ccc(C)c(C(O)CC2CCCCN2)c1
InChIInChI=1S/C15H23NO/c1-11-6-7-12(2)14(9-11)15(17)10-13-5-3-4-8-16-13/h6-7,9,13,15-17H,3-5,8,10H2,1-2H3
InChIKeyWRDJGJYTBKUSLP-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
3-cyclohexyl-1-(2,5-dimethylphenyl)propan-1-ol
CID 55200190
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-(azepan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanol
CID 82780210
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
1-(2,5-dimethylphenyl)-N-methyl-1-piperidin-2-ylmethanamine
CID 116951137
1-(2,4-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466022
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol (CID 79560663) is 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol is Cc1ccc(C)c(C(O)CC2CCCCN2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol?
The InChIKey is WRDJGJYTBKUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-12(2)14(9-11)15(17)10-13-5-3-4-8-16-13/h6-7,9,13,15-17H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol?
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol has a molecular weight of 233.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol is sourced from PubChem (CID 79560663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).