(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol

C17H23N3O3 — CID 97243462

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
SMILESCC1CCN(C[C@@H](O)COc2ccccc2-c2nnco2)CC1
InChIInChI=1S/C17H23N3O3/c1-13-6-8-20(9-7-13)10-14(21)11-22-16-5-3-2-4-15(16)17-19-18-12-23-17/h2-5,12-14,21H,6-11H2,1H3/t14-/m1/s1
InChIKeyBANYZBMTQIEDCQ-CQSZACIVSA-N
MW317.39 g/mol
LogP2.21
Rot. Bonds6

About (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol

(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol (PubChem CID 97243462) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
PubChem CID97243462
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
SMILESCC1CCN(C[C@@H](O)COc2ccccc2-c2nnco2)CC1
InChIInChI=1S/C17H23N3O3/c1-13-6-8-20(9-7-13)10-14(21)11-22-16-5-3-2-4-15(16)17-19-18-12-23-17/h2-5,12-14,21H,6-11H2,1H3/t14-/m1/s1
InChIKeyBANYZBMTQIEDCQ-CQSZACIVSA-N
XLogP2.21
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
1-(2-chlorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 18823227
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
(2S)-1-[4-[(2S)-2-hydroxy-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propyl]piperazin-1-yl]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 34175570
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 12961762
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
1-piperidin-1-yl-3-(2-pyridin-4-ylphenoxy)propan-2-ol
CID 45200033
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-phenylphenoxy)propan-2-ol
CID 43842332
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol (CID 97243462) is (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol is CC1CCN(C[C@@H](O)COc2ccccc2-c2nnco2)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is BANYZBMTQIEDCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13-6-8-20(9-7-13)10-14(21)11-22-16-5-3-2-4-15(16)17-19-18-12-23-17/h2-5,12-14,21H,6-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
(2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 317.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-3-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 97243462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).