2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride

C21H23Cl2FN2O — CID 139829310

IUPAC2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H22ClFN2O.ClH/c22-16-1-6-19-20(15-7-9-24(10-8-15)11-12-26)14-25(21(19)13-16)18-4-2-17(23)3-5-18;/h1-6,13-15,26H,7-12H2;1H
InChIKeyDQIDJVQFEJZXSB-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.02
Rot. Bonds4

About 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride

2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride (PubChem CID 139829310) has the molecular formula C21H23Cl2FN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
PubChem CID139829310
Molecular FormulaC21H23Cl2FN2O
Molecular Weight409.33 g/mol
Exact Mass408.12
IUPAC Name2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
SMILESCl.OCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C21H22ClFN2O.ClH/c22-16-1-6-19-20(15-7-9-24(10-8-15)11-12-26)14-25(21(19)13-16)18-4-2-17(23)3-5-18;/h1-6,13-15,26H,7-12H2;1H
InChIKeyDQIDJVQFEJZXSB-UHFFFAOYSA-N
XLogP5.02
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propan-2-ylurea
CID 67785260
1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea
CID 67784696
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propylurea
CID 67785262
N-[1-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,1-dimethoxyethanamine
CID 19379857
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-4,4-dimethylimidazolidine-2-carbaldehyde
CID 174361053
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2-carbaldehyde
CID 174374028
1-[2-[4-(6-chloro-1-phenylindol-3-yl)piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
CID 10322234
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(decoxymethyl)imidazolidin-2-one
CID 19927629
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(4-propan-2-ylbenzoyl)imidazolidin-2-one
CID 19927627
3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol
CID 10194843
1-[2-[4-[1-(4-fluorophenyl)-6-methoxyindol-3-yl]piperidin-1-yl]ethyl]-3-propan-2-ylimidazolidin-2-one
CID 19379864

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride (CID 139829310) is 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride is Cl.OCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1.
What is the InChIKey of 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride?
The InChIKey is DQIDJVQFEJZXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O.ClH/c22-16-1-6-19-20(15-7-9-24(10-8-15)11-12-26)14-25(21(19)13-16)18-4-2-17(23)3-5-18;/h1-6,13-15,26H,7-12H2;1H.
What are the key properties of 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride?
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride has a molecular weight of 409.33 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 139829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).