(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

C16H25NO2 — CID 769296

IUPAC(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)CN1CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-13-7-9-17(10-8-13)11-15(18)12-19-16-6-4-3-5-14(16)2/h3-6,13,15,18H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyQHEHVMYLKWGXFR-HNNXBMFYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds5

About (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol

(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 769296) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID769296
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1ccccc1OC[C@@H](O)CN1CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-13-7-9-17(10-8-13)11-15(18)12-19-16-6-4-3-5-14(16)2/h3-6,13,15,18H,7-12H2,1-2H3/t15-/m0/s1
InChIKeyQHEHVMYLKWGXFR-HNNXBMFYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
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
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-[4-(ethoxymethyl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 111122489
(2R)-1-(4-tert-butyl-2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2086476
N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-yl]-N-methylacetamide
CID 110910639
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 110900539

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 769296) is (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1ccccc1OC[C@@H](O)CN1CCC(C)CC1.
What is the InChIKey of (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is QHEHVMYLKWGXFR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13-7-9-17(10-8-13)11-15(18)12-19-16-6-4-3-5-14(16)2/h3-6,13,15,18H,7-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol?
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 769296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).