(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol

C23H25F3N2O2 — CID 70216330

IUPAC(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
SMILESO[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)18-6-4-16(5-7-18)17-9-12-28(13-10-17)14-19(29)15-30-22-3-1-2-21-20(22)8-11-27-21/h1-8,11,17,19,27,29H,9-10,12-15H2/t19-/m0/s1
InChIKeyPHVRQHHBAMNDRE-IBGZPJMESA-N
MW418.46 g/mol
LogP4.81
Rot. Bonds6

About (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol

(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol (PubChem CID 70216330) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
PubChem CID70216330
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
SMILESO[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)18-6-4-16(5-7-18)17-9-12-28(13-10-17)14-19(29)15-30-22-3-1-2-21-20(22)8-11-27-21/h1-8,11,17,19,27,29H,9-10,12-15H2/t19-/m0/s1
InChIKeyPHVRQHHBAMNDRE-IBGZPJMESA-N
XLogP4.81
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 126807342
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(1H-indol-4-yloxy)propan-2-ol
CID 167875689
(2S)-1-(1H-indol-4-yloxy)-3-[(2S,4R)-2-methyl-4-naphthalen-2-ylpiperidin-1-yl]propan-2-ol
CID 58759993
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
CID 22867041
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
CID 19610469
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
4-[[1-[2-hydroxy-3-(1H-indol-4-ylperoxy)propyl]piperidin-4-yl]methoxy]phenol
CID 152625181
(2S)-1-(3,3-diphenylpyrrolidin-1-yl)-3-(1H-indol-4-yloxy)propan-2-ol;oxalic acid
CID 131719694

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol (CID 70216330) is (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol is O[C@H](COc1cccc2[nH]ccc12)CN1CCC(c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol?
The InChIKey is PHVRQHHBAMNDRE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25F3N2O2/c24-23(25,26)18-6-4-16(5-7-18)17-9-12-28(13-10-17)14-19(29)15-30-22-3-1-2-21-20(22)8-11-27-21/h1-8,11,17,19,27,29H,9-10,12-15H2/t19-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol?
(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol has a molecular weight of 418.46 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 70216330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).