(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol

C14H21NO2 — CID 14201547

IUPAC(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol
SMILESO[C@H](COCc1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H21NO2/c16-14(13-8-4-5-9-15-13)11-17-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1
InChIKeyDCJOWWMUIMVZHV-ZIAGYGMSSA-N
MW235.33 g/mol
LogP1.71
Rot. Bonds5

About (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol

(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol (PubChem CID 14201547) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol
PubChem CID14201547
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol
SMILESO[C@H](COCc1ccccc1)[C@H]1CCCCN1
InChIInChI=1S/C14H21NO2/c16-14(13-8-4-5-9-15-13)11-17-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1
InChIKeyDCJOWWMUIMVZHV-ZIAGYGMSSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol?
The IUPAC name of (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol (CID 14201547) is (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol is O[C@H](COCc1ccccc1)[C@H]1CCCCN1.
What is the InChIKey of (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol?
The InChIKey is DCJOWWMUIMVZHV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(13-8-4-5-9-15-13)11-17-10-12-6-2-1-3-7-12/h1-3,6-7,13-16H,4-5,8-11H2/t13-,14-/m1/s1.
What are the key properties of (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol?
(1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenylmethoxy-1-[(2R)-piperidin-2-yl]ethanol is sourced from PubChem (CID 14201547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).