(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol

C15H23NO2 — CID 51423161

IUPAC(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
SMILESC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13-7-5-6-10-16(13)11-14(17)12-18-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3/t13-,14+/m1/s1
InChIKeyGEYOICCKNWSVAB-KGLIPLIRSA-N
MW249.35 g/mol
LogP2.30
Rot. Bonds5

About (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol

(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 51423161) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID51423161
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
SMILESC[C@@H]1CCCCN1C[C@H](O)COc1ccccc1
InChIInChI=1S/C15H23NO2/c1-13-7-5-6-10-16(13)11-14(17)12-18-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3/t13-,14+/m1/s1
InChIKeyGEYOICCKNWSVAB-KGLIPLIRSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-yl]propoxy]benzonitrile
CID 92983492
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
2-[4-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]acetonitrile
CID 100836371
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 16798587
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol (CID 51423161) is (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol is C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1.
What is the InChIKey of (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is GEYOICCKNWSVAB-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13-7-5-6-10-16(13)11-14(17)12-18-15-8-3-2-4-9-15/h2-4,8-9,13-14,17H,5-7,10-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol?
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 51423161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).