4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol

C24H24Cl2FN3O2 — CID 91405872

IUPAC4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
SMILESNc1ncc(-c2ccc(C3(O)CCNCC3)cc2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C24H24Cl2FN3O2/c25-19-5-6-20(27)22(26)18(19)7-12-32-21-13-16(14-30-23(21)28)15-1-3-17(4-2-15)24(31)8-10-29-11-9-24/h1-6,13-14,29,31H,7-12H2,(H2,28,30)
InChIKeyJQIGJOJTHOSNOO-UHFFFAOYSA-N
MW476.38 g/mol
LogP4.97
Rot. Bonds6

About 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol

4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol (PubChem CID 91405872) has the molecular formula C24H24Cl2FN3O2 and a molecular weight of 476.38 g/mol. Its IUPAC name is 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
PubChem CID91405872
Molecular FormulaC24H24Cl2FN3O2
Molecular Weight476.38 g/mol
Exact Mass475.12
IUPAC Name4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol
SMILESNc1ncc(-c2ccc(C3(O)CCNCC3)cc2)cc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C24H24Cl2FN3O2/c25-19-5-6-20(27)22(26)18(19)7-12-32-21-13-16(14-30-23(21)28)15-1-3-17(4-2-15)24(31)8-10-29-11-9-24/h1-6,13-14,29,31H,7-12H2,(H2,28,30)
InChIKeyJQIGJOJTHOSNOO-UHFFFAOYSA-N
XLogP4.97
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.38
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol 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

[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-piperazin-1-ylmethanone
CID 91589682
(3S)-3-[2-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]ethynyl]pyrrolidin-3-ol
CID 90014738
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(3,3-dimethyl-1,2-dihydroindol-5-yl)pyridin-2-amine
CID 90205558
2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-1-(3-aminopyrrolidin-1-yl)ethanone
CID 91247830
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123322795
3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 90961480
[4-[6-amino-5-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-3-pyridinyl]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 91263211
1-[2-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]ethyl]pyrrolidin-2-one
CID 91370323
[4-[5-amino-6-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
CID 91190447
7-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-hydroxyheptanamide
CID 175342332
1-[4-[6-amino-5-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-3-pyridinyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 90686654
4-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-6-(6-morpholin-4-yl-3-pyridinyl)pyridazin-3-amine
CID 69045854

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol?
The IUPAC name of 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol (CID 91405872) is 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol?
The canonical SMILES for 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol is Nc1ncc(-c2ccc(C3(O)CCNCC3)cc2)cc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol?
The InChIKey is JQIGJOJTHOSNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O2/c25-19-5-6-20(27)22(26)18(19)7-12-32-21-13-16(14-30-23(21)28)15-1-3-17(4-2-15)24(31)8-10-29-11-9-24/h1-6,13-14,29,31H,7-12H2,(H2,28,30).
What are the key properties of 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol?
4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol has a molecular weight of 476.38 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 91405872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).