(2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol

C14H21NO2 — CID 675152

IUPAC(2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1)CN1CCCCC1
InChIInChI=1S/C14H21NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2/t13-/m0/s1
InChIKeyQPMPQYGUAKDGAE-ZDUSSCGKSA-N
MW235.33 g/mol
LogP1.91
Rot. Bonds5

About (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol

(2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 675152) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol
PubChem CID675152
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol
SMILESO[C@H](COc1ccccc1)CN1CCCCC1
InChIInChI=1S/C14H21NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2/t13-/m0/s1
InChIKeyQPMPQYGUAKDGAE-ZDUSSCGKSA-N
XLogP1.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol (CID 675152) is (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol is O[C@H](COc1ccccc1)CN1CCCCC1.
What is the InChIKey of (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is QPMPQYGUAKDGAE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h1,3-4,7-8,13,16H,2,5-6,9-12H2/t13-/m0/s1.
What are the key properties of (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol?
(2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenoxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 675152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).