(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol

C15H23NO2 — CID 58870154

IUPAC(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol
SMILESCOc1c(C)cccc1C[C@H](O)C1CCNCC1
InChIInChI=1S/C15H23NO2/c1-11-4-3-5-13(15(11)18-2)10-14(17)12-6-8-16-9-7-12/h3-5,12,14,16-17H,6-10H2,1-2H3/t14-/m0/s1
InChIKeyREGRYQONWXUVDJ-AWEZNQCLSA-N
MW249.35 g/mol
LogP1.91
Rot. Bonds4

About (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol

(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol (PubChem CID 58870154) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol.

Molecular Properties

Compound Name(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol
PubChem CID58870154
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol
SMILESCOc1c(C)cccc1C[C@H](O)C1CCNCC1
InChIInChI=1S/C15H23NO2/c1-11-4-3-5-13(15(11)18-2)10-14(17)12-6-8-16-9-7-12/h3-5,12,14,16-17H,6-10H2,1-2H3/t14-/m0/s1
InChIKeyREGRYQONWXUVDJ-AWEZNQCLSA-N
XLogP1.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol?
The IUPAC name of (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol (CID 58870154) is (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol.
What is the SMILES notation for (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol?
The canonical SMILES for (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol is COc1c(C)cccc1C[C@H](O)C1CCNCC1.
What is the InChIKey of (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol?
The InChIKey is REGRYQONWXUVDJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-4-3-5-13(15(11)18-2)10-14(17)12-6-8-16-9-7-12/h3-5,12,14,16-17H,6-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol?
(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol has a molecular weight of 249.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol is sourced from PubChem (CID 58870154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).