[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

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Related Compounds

3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
CID 119553
Indole, 14
CID 44473055
1-(4-Fluoro-phenyl)-3-{4-[4-(4-fluoro-phenyl)-piperidin-1-yl]-butyl}-1H-indole
CID 10049124
1-(4-Fluoro-phenyl)-3-[4-(4-phenyl-piperidin-1-yl)-butyl]-1H-indole
CID 10342427
5-Fluoro-1-(4-fluoro-phenyl)-3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 15006441
3-(1-benzyl-1H-indol-3-yl)propan-1-ol
CID 2053700
2-(1-phenyl-1H-indol-3-yl)ethan-1-ol
CID 775713
3-(1-phenyl-1H-indol-3-yl)-1-propanol
CID 2055004
5-(2-Methyl-3-(pyridin-3-yl)-1H-indol-1-yl)pentanoic acid
CID 9926621
2-(1-methyl-1H-indol-3-yl)ethan-1-ol
CID 12247806
3-(4-Fluorophenyl)-1-hydroxyethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647184
1-{3-[4-(substitutedphenyl)piperazin1-yl]propyl}-1 H-indole, 4a
CID 56652458

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).