[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol

C18H24N2O2 — CID 111976743

IUPAC[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCCCC2c2cc3ccccc3[nH]2)COC1
InChIInChI=1S/C18H24N2O2/c21-11-18(12-22-13-18)10-20-8-4-3-7-17(20)16-9-14-5-1-2-6-15(14)19-16/h1-2,5-6,9,17,19,21H,3-4,7-8,10-13H2
InChIKeyPMTPTJOEOWFQIW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.70
Rot. Bonds4

About [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 111976743) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID111976743
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESOCC1(CN2CCCCC2c2cc3ccccc3[nH]2)COC1
InChIInChI=1S/C18H24N2O2/c21-11-18(12-22-13-18)10-20-8-4-3-7-17(20)16-9-14-5-1-2-6-15(14)19-16/h1-2,5-6,9,17,19,21H,3-4,7-8,10-13H2
InChIKeyPMTPTJOEOWFQIW-UHFFFAOYSA-N
XLogP2.70
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 124777878
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 97329788
2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]-1H-indole
CID 95344808
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
CID 146096191
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657
2-[2-(1H-indol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 155961802

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol (CID 111976743) is [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol is OCC1(CN2CCCCC2c2cc3ccccc3[nH]2)COC1.
What is the InChIKey of [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is PMTPTJOEOWFQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-11-18(12-22-13-18)10-20-8-4-3-7-17(20)16-9-14-5-1-2-6-15(14)19-16/h1-2,5-6,9,17,19,21H,3-4,7-8,10-13H2.
What are the key properties of [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 300.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 111976743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).