2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol

C23H25N3O — CID 11595633

IUPAC2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2
InChIKeyVFOJZCCGUHQKDE-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.94
Rot. Bonds5

About 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol

2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol (PubChem CID 11595633) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol
PubChem CID11595633
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2
InChIKeyVFOJZCCGUHQKDE-UHFFFAOYSA-N
XLogP3.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol (CID 11595633) is 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol?
The InChIKey is VFOJZCCGUHQKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(20-11-7-13-24-17-20,21-12-8-14-25-18-21)22(19-9-3-1-4-10-19)26-15-5-2-6-16-26/h1,3-4,7-14,17-18,22,27H,2,5-6,15-16H2.
What are the key properties of 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol?
2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol has a molecular weight of 359.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-piperidin-1-yl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 11595633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).