[1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

C24H29FN2O — CID 23723306

IUPAC[1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCCn1cc(CN2CCCC(CO)(Cc3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C24H29FN2O/c1-2-27-16-20(22-6-3-4-7-23(22)27)15-26-13-5-12-24(17-26,18-28)14-19-8-10-21(25)11-9-19/h3-4,6-11,16,28H,2,5,12-15,17-18H2,1H3
InChIKeyBFWFUAFDOXUGHC-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.62
Rot. Bonds6

About [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol

[1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (PubChem CID 23723306) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
PubChem CID23723306
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name[1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
SMILESCCn1cc(CN2CCCC(CO)(Cc3ccc(F)cc3)C2)c2ccccc21
InChIInChI=1S/C24H29FN2O/c1-2-27-16-20(22-6-3-4-7-23(22)27)15-26-13-5-12-24(17-26,18-28)14-19-8-10-21(25)11-9-19/h3-4,6-11,16,28H,2,5,12-15,17-18H2,1H3
InChIKeyBFWFUAFDOXUGHC-UHFFFAOYSA-N
XLogP4.62
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol (CID 23723306) is [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is CCn1cc(CN2CCCC(CO)(Cc3ccc(F)cc3)C2)c2ccccc21.
What is the InChIKey of [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
The InChIKey is BFWFUAFDOXUGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-2-27-16-20(22-6-3-4-7-23(22)27)15-26-13-5-12-24(17-26,18-28)14-19-8-10-21(25)11-9-19/h3-4,6-11,16,28H,2,5,12-15,17-18H2,1H3.
What are the key properties of [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol?
[1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol has a molecular weight of 380.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylindol-3-yl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 23723306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).