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

C25H28FN5O — CID 10194843

IUPAC3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCCO)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C25H28FN5O/c1-29-17-27-25(28-29)19-3-8-24-22(15-19)23(16-31(24)21-6-4-20(26)5-7-21)18-9-12-30(13-10-18)11-2-14-32/h3-8,15-18,32H,2,9-14H2,1H3
InChIKeyMUWUFSJRGHVTAH-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.13
Rot. Bonds6

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

3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol (PubChem CID 10194843) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol
PubChem CID10194843
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol
SMILESCn1cnc(-c2ccc3c(c2)c(C2CCN(CCCO)CC2)cn3-c2ccc(F)cc2)n1
InChIInChI=1S/C25H28FN5O/c1-29-17-27-25(28-29)19-3-8-24-22(15-19)23(16-31(24)21-6-4-20(26)5-7-21)18-9-12-30(13-10-18)11-2-14-32/h3-8,15-18,32H,2,9-14H2,1H3
InChIKeyMUWUFSJRGHVTAH-UHFFFAOYSA-N
XLogP4.13
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
CID 10175068
3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
CID 57303088
1-[2-[4-[1-(4-fluorophenyl)-5-(1-(111C)methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 70682616
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 139829310
1-[2-[4-[1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11827039
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11038263
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]-3-(decoxymethyl)imidazolidin-2-one
CID 19927629
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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol?
The IUPAC name of 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) is 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol is Cn1cnc(-c2ccc3c(c2)c(C2CCN(CCCO)CC2)cn3-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol?
The InChIKey is MUWUFSJRGHVTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c1-29-17-27-25(28-29)19-3-8-24-22(15-19)23(16-31(24)21-6-4-20(26)5-7-21)18-9-12-30(13-10-18)11-2-14-32/h3-8,15-18,32H,2,9-14H2,1H3.
What are the key properties of 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol?
3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol has a molecular weight of 433.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 10194843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).