3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol

C22H22BrN3O — CID 175689964

IUPAC3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol
SMILESOc1cccc(N(c2cccnc2)C2CCN(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C22H22BrN3O/c23-17-6-8-18(9-7-17)25-13-10-19(11-14-25)26(21-4-2-12-24-16-21)20-3-1-5-22(27)15-20/h1-9,12,15-16,19,27H,10-11,13-14H2
InChIKeyUTJANMDZACZOOR-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.36
Rot. Bonds4

About 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol

3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol (PubChem CID 175689964) has the molecular formula C22H22BrN3O and a molecular weight of 424.34 g/mol. Its IUPAC name is 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol.

Molecular Properties

Compound Name3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol
PubChem CID175689964
Molecular FormulaC22H22BrN3O
Molecular Weight424.34 g/mol
Exact Mass423.09
IUPAC Name3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol
SMILESOc1cccc(N(c2cccnc2)C2CCN(c3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C22H22BrN3O/c23-17-6-8-18(9-7-17)25-13-10-19(11-14-25)26(21-4-2-12-24-16-21)20-3-1-5-22(27)15-20/h1-9,12,15-16,19,27H,10-11,13-14H2
InChIKeyUTJANMDZACZOOR-UHFFFAOYSA-N
XLogP5.36
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
1-(3-hydroxyphenyl)azepan-4-ol
CID 115025213
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
2-[1-(4-bromophenyl)piperidin-4-yl]propan-2-ol
CID 71093677
3-[[1-(cycloheptylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
CID 175690004
(3S)-1-(4-bromophenyl)pyrrolidin-3-ol
CID 67148437
3-[di(cyclobutyl)amino]phenol
CID 175178677
4-[imidazo[1,2-a]pyrazin-8-yl(pyridin-3-yl)amino]cyclohexan-1-ol
CID 91170807
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
CID 15604597
3-(3-aminopyrrolidin-1-yl)phenol
CID 57034127
3-[[1-(1H-pyrrol-2-ylmethyl)piperidin-4-yl]-thiophen-3-ylamino]phenol
CID 175689875

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol?
The IUPAC name of 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol (CID 175689964) is 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol.
What is the SMILES notation for 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol?
The canonical SMILES for 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol is Oc1cccc(N(c2cccnc2)C2CCN(c3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol?
The InChIKey is UTJANMDZACZOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O/c23-17-6-8-18(9-7-17)25-13-10-19(11-14-25)26(21-4-2-12-24-16-21)20-3-1-5-22(27)15-20/h1-9,12,15-16,19,27H,10-11,13-14H2.
What are the key properties of 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol?
3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol has a molecular weight of 424.34 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-bromophenyl)piperidin-4-yl]-pyridin-3-ylamino]phenol is sourced from PubChem (CID 175689964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).