2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol

C26H30FN5O2 — CID 10173941

IUPAC2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol
SMILESCn1ncnc1-c1ccc2c(c1)c(C1CCN(CCOCCO)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C26H30FN5O2/c1-30-26(28-18-29-30)20-2-7-25-23(16-20)24(17-32(25)22-5-3-21(27)4-6-22)19-8-10-31(11-9-19)12-14-34-15-13-33/h2-7,16-19,33H,8-15H2,1H3
InChIKeyPFFXKQLENBBNPI-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.75
Rot. Bonds8

About 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol

2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol (PubChem CID 10173941) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol
PubChem CID10173941
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol
SMILESCn1ncnc1-c1ccc2c(c1)c(C1CCN(CCOCCO)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C26H30FN5O2/c1-30-26(28-18-29-30)20-2-7-25-23(16-20)24(17-32(25)22-5-3-21(27)4-6-22)19-8-10-31(11-9-19)12-14-34-15-13-33/h2-7,16-19,33H,8-15H2,1H3
InChIKeyPFFXKQLENBBNPI-UHFFFAOYSA-N
XLogP3.75
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
CID 57303088
3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
CID 10175068
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11038263
1-[2-[4-[1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11827039
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 139829310
1-[2-[4-[1-(4-fluorophenyl)-5-(1-(111C)methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 70682616
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(decoxymethyl)imidazolidin-2-one
CID 19927629
tert-butyl 4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-3-yl)indol-3-yl]piperidine-1-carboxylate
CID 10961750
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
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-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-4,4-dimethylimidazolidine-2-carbaldehyde
CID 174361053

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol (CID 10173941) is 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol is Cn1ncnc1-c1ccc2c(c1)c(C1CCN(CCOCCO)CC1)cn2-c1ccc(F)cc1.
What is the InChIKey of 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol?
The InChIKey is PFFXKQLENBBNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-30-26(28-18-29-30)20-2-7-25-23(16-20)24(17-32(25)22-5-3-21(27)4-6-22)19-8-10-31(11-9-19)12-14-34-15-13-33/h2-7,16-19,33H,8-15H2,1H3.
What are the key properties of 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol?
2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol has a molecular weight of 463.56 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 10173941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).