(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol

C15H23NO2 — CID 1149958

IUPAC(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
SMILESCc1ccccc1OC[C@H](O)CN1CCCCC1
InChIInChI=1S/C15H23NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3/t14-/m1/s1
InChIKeyBVEROKWZMYREBD-CQSZACIVSA-N
MW249.35 g/mol
LogP2.22
Rot. Bonds5

About (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol

(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol (PubChem CID 1149958) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
PubChem CID1149958
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
SMILESCc1ccccc1OC[C@H](O)CN1CCCCC1
InChIInChI=1S/C15H23NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3/t14-/m1/s1
InChIKeyBVEROKWZMYREBD-CQSZACIVSA-N
XLogP2.22
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol chloride
CID 46863854
1-(2,3-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 16798655
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
1-(azepan-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 4320215
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2,4-dimethylphenoxy)-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 2770287
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
CID 2968485

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol (CID 1149958) is (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol is Cc1ccccc1OC[C@H](O)CN1CCCCC1.
What is the InChIKey of (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
The InChIKey is BVEROKWZMYREBD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-7-3-4-8-15(13)18-12-14(17)11-16-9-5-2-6-10-16/h3-4,7-8,14,17H,2,5-6,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol?
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 1149958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).