1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol

C22H23ClFN3O — CID 133454264

IUPAC1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
SMILESCC(Nc1ccnc2ccc(Cl)cc12)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C22H23ClFN3O/c1-14(26-21-6-9-25-20-4-2-15(23)12-19(20)21)18-13-16(24)3-5-22(18)27-10-7-17(28)8-11-27/h2-6,9,12-14,17,28H,7-8,10-11H2,1H3,(H,25,26)
InChIKeySOZBKVLNOGQYHM-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.16
Rot. Bonds4

About 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol

1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol (PubChem CID 133454264) has the molecular formula C22H23ClFN3O and a molecular weight of 399.90 g/mol. Its IUPAC name is 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
PubChem CID133454264
Molecular FormulaC22H23ClFN3O
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC Name1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol
SMILESCC(Nc1ccnc2ccc(Cl)cc12)c1cc(F)ccc1N1CCC(O)CC1
InChIInChI=1S/C22H23ClFN3O/c1-14(26-21-6-9-25-20-4-2-15(23)12-19(20)21)18-13-16(24)3-5-22(18)27-10-7-17(28)8-11-27/h2-6,9,12-14,17,28H,7-8,10-11H2,1H3,(H,25,26)
InChIKeySOZBKVLNOGQYHM-UHFFFAOYSA-N
XLogP5.16
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol (CID 133454264) is 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol is CC(Nc1ccnc2ccc(Cl)cc12)c1cc(F)ccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
The InChIKey is SOZBKVLNOGQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O/c1-14(26-21-6-9-25-20-4-2-15(23)12-19(20)21)18-13-16(24)3-5-22(18)27-10-7-17(28)8-11-27/h2-6,9,12-14,17,28H,7-8,10-11H2,1H3,(H,25,26).
What are the key properties of 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol?
1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol has a molecular weight of 399.90 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(6-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]piperidin-4-ol is sourced from PubChem (CID 133454264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).