2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol

C29H31FN2O2 — CID 10161576

IUPAC2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
SMILESCc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
InChIInChI=1S/C29H31FN2O2/c1-21-27-19-25(33)11-14-28(27)32(29(21)23-7-9-24(30)10-8-23)20-22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,33H,2-4,15-18,20H2,1H3
InChIKeySAGDOTDHTDEEJO-UHFFFAOYSA-N
MW458.58 g/mol
LogP6.37
Rot. Bonds7

About 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol

2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol (PubChem CID 10161576) has the molecular formula C29H31FN2O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
PubChem CID10161576
Molecular FormulaC29H31FN2O2
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC Name2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol
SMILESCc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
InChIInChI=1S/C29H31FN2O2/c1-21-27-19-25(33)11-14-28(27)32(29(21)23-7-9-24(30)10-8-23)20-22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,33H,2-4,15-18,20H2,1H3
InChIKeySAGDOTDHTDEEJO-UHFFFAOYSA-N
XLogP6.37
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol (CID 10161576) is 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol is Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
The InChIKey is SAGDOTDHTDEEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O2/c1-21-27-19-25(33)11-14-28(27)32(29(21)23-7-9-24(30)10-8-23)20-22-5-12-26(13-6-22)34-18-17-31-15-3-2-4-16-31/h5-14,19,33H,2-4,15-18,20H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol?
2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol has a molecular weight of 458.58 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-5-ol is sourced from PubChem (CID 10161576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).