(1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol

C14H21NO2 — CID 14201557

IUPAC(1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol
SMILESCN1CCCC[C@@H]1[C@H](O)COc1ccccc1
InChIInChI=1S/C14H21NO2/c1-15-10-6-5-9-13(15)14(16)11-17-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1
InChIKeyQQNBBEGWAYXFQS-ZIAGYGMSSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds4

About (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol

(1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol (PubChem CID 14201557) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol
PubChem CID14201557
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol
SMILESCN1CCCC[C@@H]1[C@H](O)COc1ccccc1
InChIInChI=1S/C14H21NO2/c1-15-10-6-5-9-13(15)14(16)11-17-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1
InChIKeyQQNBBEGWAYXFQS-ZIAGYGMSSA-N
XLogP1.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol?
The IUPAC name of (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol (CID 14201557) is (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol.
What is the SMILES notation for (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol?
The canonical SMILES for (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol is CN1CCCC[C@@H]1[C@H](O)COc1ccccc1.
What is the InChIKey of (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol?
The InChIKey is QQNBBEGWAYXFQS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-10-6-5-9-13(15)14(16)11-17-12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m1/s1.
What are the key properties of (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol?
(1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol has a molecular weight of 235.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-methylpiperidin-2-yl]-2-phenoxyethanol is sourced from PubChem (CID 14201557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).