1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol

C17H25F3N2O2 — CID 146142495

IUPAC1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C17H25F3N2O2/c1-13-5-2-3-7-16(13)24-11-15(23)10-22-8-4-6-14(9-22)21-12-17(18,19)20/h2-3,5,7,14-15,21,23H,4,6,8-12H2,1H3
InChIKeyQMPAEFMRUDLJAV-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.35
Rot. Bonds7

About 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol

1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol (PubChem CID 146142495) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
PubChem CID146142495
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)CN1CCCC(NCC(F)(F)F)C1
InChIInChI=1S/C17H25F3N2O2/c1-13-5-2-3-7-16(13)24-11-15(23)10-22-8-4-6-14(9-22)21-12-17(18,19)20/h2-3,5,7,14-15,21,23H,4,6,8-12H2,1H3
InChIKeyQMPAEFMRUDLJAV-UHFFFAOYSA-N
XLogP2.35
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-3-yl]-2-methylpropanamide
CID 110921573
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-(2-methylphenoxy)-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 111439811
ethyl (3R)-1-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidine-3-carboxylate
CID 7150367
(3R)-1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-N-phenylpiperidine-3-carboxamide
CID 100841093
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
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol
CID 7150363
1-(2-methylphenoxy)-3-[(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 60900276

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol (CID 146142495) is 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol is Cc1ccccc1OCC(O)CN1CCCC(NCC(F)(F)F)C1.
What is the InChIKey of 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol?
The InChIKey is QMPAEFMRUDLJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-13-5-2-3-7-16(13)24-11-15(23)10-22-8-4-6-14(9-22)21-12-17(18,19)20/h2-3,5,7,14-15,21,23H,4,6,8-12H2,1H3.
What are the key properties of 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol?
1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol has a molecular weight of 346.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 146142495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).