2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol

C17H22N2O2 — CID 126951743

IUPAC2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
SMILESOC1CCC1N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H22N2O2/c20-16-5-4-15(16)19-10-7-12(8-11-19)21-17-3-1-2-14-13(17)6-9-18-14/h1-3,6,9,12,15-16,18,20H,4-5,7-8,10-11H2
InChIKeyOVJAHUVBZLOTBA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.53
Rot. Bonds3

About 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol

2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol (PubChem CID 126951743) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
PubChem CID126951743
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
SMILESOC1CCC1N1CCC(Oc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C17H22N2O2/c20-16-5-4-15(16)19-10-7-12(8-11-19)21-17-3-1-2-14-13(17)6-9-18-14/h1-3,6,9,12,15-16,18,20H,4-5,7-8,10-11H2
InChIKeyOVJAHUVBZLOTBA-UHFFFAOYSA-N
XLogP2.53
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126951544
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(oxan-4-yl)methanone
CID 126951435
2-methylpropyl 4-(1H-indol-4-yloxy)piperidine-1-carboxylate
CID 68843107
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]-1,3-thiazole
CID 126951506
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
[4-(1H-indol-4-yloxy)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126951449
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
4-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]oxy-1H-indole
CID 126951554
4-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]oxy-1H-indole
CID 126951596
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol?
The IUPAC name of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol (CID 126951743) is 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol.
What is the SMILES notation for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol?
The canonical SMILES for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol is OC1CCC1N1CCC(Oc2cccc3[nH]ccc23)CC1.
What is the InChIKey of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol?
The InChIKey is OVJAHUVBZLOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-5-4-15(16)19-10-7-12(8-11-19)21-17-3-1-2-14-13(17)6-9-18-14/h1-3,6,9,12,15-16,18,20H,4-5,7-8,10-11H2.
What are the key properties of 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol?
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol is sourced from PubChem (CID 126951743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).