2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol

C23H30N2O2 — CID 22038273

IUPAC2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol
SMILESOCCOc1cccc(CCN2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H30N2O2/c26-16-17-27-22-6-3-4-19(18-22)8-12-24-13-10-21(11-14-24)25-15-9-20-5-1-2-7-23(20)25/h1-7,18,21,26H,8-17H2
InChIKeyMGCSQZUFNRKKPS-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.13
Rot. Bonds7

About 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol

2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol (PubChem CID 22038273) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol
PubChem CID22038273
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol
SMILESOCCOc1cccc(CCN2CCC(N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C23H30N2O2/c26-16-17-27-22-6-3-4-19(18-22)8-12-24-13-10-21(11-14-24)25-15-9-20-5-1-2-7-23(20)25/h1-7,18,21,26H,8-17H2
InChIKeyMGCSQZUFNRKKPS-UHFFFAOYSA-N
XLogP3.13
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(3,5-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22037972
1-[1-[3-(1,3-benzodioxol-5-yloxy)propyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038018
5-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carbonitrile
CID 22037916
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999
1-[1-[2-(3-methylphenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole-5-carbonitrile
CID 139805676
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
1-(2-methoxyphenyl)-4-[2-[3-[3-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenoxy]propoxy]phenyl]ethyl]piperazine
CID 23661594
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
2-[4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 45243889
1-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]oxy]ethanol
CID 22038243
2-[3-[[ethyl-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenoxy]ethanol
CID 45180737

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol (CID 22038273) is 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol is OCCOc1cccc(CCN2CCC(N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol?
The InChIKey is MGCSQZUFNRKKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-16-17-27-22-6-3-4-19(18-22)8-12-24-13-10-21(11-14-24)25-15-9-20-5-1-2-7-23(20)25/h1-7,18,21,26H,8-17H2.
What are the key properties of 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol?
2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol has a molecular weight of 366.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]ethyl]phenoxy]ethanol is sourced from PubChem (CID 22038273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).