4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol

C23H27N3O3 — CID 22841289

IUPAC4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol
SMILESC[C@H](Cc1ccc(O)cc1)N(CC(O)c1ccccn1)CC(O)c1ccccn1
InChIInChI=1S/C23H27N3O3/c1-17(14-18-8-10-19(27)11-9-18)26(15-22(28)20-6-2-4-12-24-20)16-23(29)21-7-3-5-13-25-21/h2-13,17,22-23,27-29H,14-16H2,1H3/t17-,22?,23?/m1/s1
InChIKeyRJLZUXKZIPNXBZ-UIFUMHDPSA-N
MW393.49 g/mol
LogP2.88
Rot. Bonds9

About 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol

4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol (PubChem CID 22841289) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol
PubChem CID22841289
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol
SMILESC[C@H](Cc1ccc(O)cc1)N(CC(O)c1ccccn1)CC(O)c1ccccn1
InChIInChI=1S/C23H27N3O3/c1-17(14-18-8-10-19(27)11-9-18)26(15-22(28)20-6-2-4-12-24-20)16-23(29)21-7-3-5-13-25-21/h2-13,17,22-23,27-29H,14-16H2,1H3/t17-,22?,23?/m1/s1
InChIKeyRJLZUXKZIPNXBZ-UIFUMHDPSA-N
XLogP2.88
TPSA89.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol?
The IUPAC name of 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol (CID 22841289) is 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol.
What is the SMILES notation for 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol?
The canonical SMILES for 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol is C[C@H](Cc1ccc(O)cc1)N(CC(O)c1ccccn1)CC(O)c1ccccn1.
What is the InChIKey of 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol?
The InChIKey is RJLZUXKZIPNXBZ-UIFUMHDPSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17(14-18-8-10-19(27)11-9-18)26(15-22(28)20-6-2-4-12-24-20)16-23(29)21-7-3-5-13-25-21/h2-13,17,22-23,27-29H,14-16H2,1H3/t17-,22?,23?/m1/s1.
What are the key properties of 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol?
4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol has a molecular weight of 393.49 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[bis(2-hydroxy-2-pyridin-2-ylethyl)amino]propyl]phenol is sourced from PubChem (CID 22841289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).