4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol

C23H27FN2O2 — CID 16674108

IUPAC4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol
SMILESCOCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O2/c1-28-15-14-26-17-18(19-6-2-5-9-22(19)26)16-25-12-10-23(27,11-13-25)20-7-3-4-8-21(20)24/h2-9,17,27H,10-16H2,1H3
InChIKeyHFOBSMZETDNRFD-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.91
Rot. Bonds6

About 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol

4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol (PubChem CID 16674108) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol
PubChem CID16674108
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol
SMILESCOCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21
InChIInChI=1S/C23H27FN2O2/c1-28-15-14-26-17-18(19-6-2-5-9-22(19)26)16-25-12-10-23(27,11-13-25)20-7-3-4-8-21(20)24/h2-9,17,27H,10-16H2,1H3
InChIKeyHFOBSMZETDNRFD-UHFFFAOYSA-N
XLogP3.91
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol (CID 16674108) is 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol is COCCn1cc(CN2CCC(O)(c3ccccc3F)CC2)c2ccccc21.
What is the InChIKey of 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol?
The InChIKey is HFOBSMZETDNRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-28-15-14-26-17-18(19-6-2-5-9-22(19)26)16-25-12-10-23(27,11-13-25)20-7-3-4-8-21(20)24/h2-9,17,27H,10-16H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol has a molecular weight of 382.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[[1-(2-methoxyethyl)indol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 16674108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).