1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol

C20H26N4O2 — CID 126807342

IUPAC1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
SMILESCc1[nH]ncc1C1CCN(CC(O)COc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-14-18(11-22-23-14)15-6-9-24(10-7-15)12-16(25)13-26-20-4-2-3-19-17(20)5-8-21-19/h2-5,8,11,15-16,21,25H,6-7,9-10,12-13H2,1H3,(H,22,23)
InChIKeyVMYALKDAUGUIMK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds6

About 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol

1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol (PubChem CID 126807342) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
PubChem CID126807342
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
SMILESCc1[nH]ncc1C1CCN(CC(O)COc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C20H26N4O2/c1-14-18(11-22-23-14)15-6-9-24(10-7-15)12-16(25)13-26-20-4-2-3-19-17(20)5-8-21-19/h2-5,8,11,15-16,21,25H,6-7,9-10,12-13H2,1H3,(H,22,23)
InChIKeyVMYALKDAUGUIMK-UHFFFAOYSA-N
XLogP2.82
TPSA77.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
(2S)-1-(1H-indol-4-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]propan-2-ol
CID 70216330
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
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
2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid
CID 19610469
(2S)-1-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 57214508
1-(1H-indol-4-yloxy)-3-(4-methyltriazol-1-yl)propan-2-ol
CID 138020555
4-(4-bromophenyl)-1-[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperidin-4-ol
CID 22867041
methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
CID 56634055
(2S)-1-(1H-indol-4-yloxy)-3-[(2S,4R)-2-methyl-4-naphthalen-2-ylpiperidin-1-yl]propan-2-ol
CID 58759993
(2R)-1-(1H-indol-4-yloxy)-3-(2-propan-2-ylimidazol-1-yl)propan-2-ol
CID 97327080
1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 70491898

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol (CID 126807342) is 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol is Cc1[nH]ncc1C1CCN(CC(O)COc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is VMYALKDAUGUIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-18(11-22-23-14)15-6-9-24(10-7-15)12-16(25)13-26-20-4-2-3-19-17(20)5-8-21-19/h2-5,8,11,15-16,21,25H,6-7,9-10,12-13H2,1H3,(H,22,23).
What are the key properties of 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol?
1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 354.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-4-yloxy)-3-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 126807342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).