1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol

C15H23NO — CID 82290402

IUPAC1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
SMILESCc1cccc(C(C)(O)C2CCNCC2)c1C
InChIInChI=1S/C15H23NO/c1-11-5-4-6-14(12(11)2)15(3,17)13-7-9-16-10-8-13/h4-6,13,16-17H,7-10H2,1-3H3
InChIKeyQHPAGZRIIXMOKR-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.51
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol

1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol (PubChem CID 82290402) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
PubChem CID82290402
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol
SMILESCc1cccc(C(C)(O)C2CCNCC2)c1C
InChIInChI=1S/C15H23NO/c1-11-5-4-6-14(12(11)2)15(3,17)13-7-9-16-10-8-13/h4-6,13,16-17H,7-10H2,1-3H3
InChIKeyQHPAGZRIIXMOKR-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol?
The IUPAC name of 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol (CID 82290402) is 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol is Cc1cccc(C(C)(O)C2CCNCC2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol?
The InChIKey is QHPAGZRIIXMOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-4-6-14(12(11)2)15(3,17)13-7-9-16-10-8-13/h4-6,13,16-17H,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol?
1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol has a molecular weight of 233.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 82290402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).