3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol

C18H22N2O — CID 56863870

IUPAC3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol
SMILESOc1cc(CCC2CCCCN2)cc(-c2ccncc2)c1
InChIInChI=1S/C18H22N2O/c21-18-12-14(4-5-17-3-1-2-8-20-17)11-16(13-18)15-6-9-19-10-7-15/h6-7,9-13,17,20-21H,1-5,8H2
InChIKeyGNOSEAFVRFCKGK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.53
Rot. Bonds4

About 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol

3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol (PubChem CID 56863870) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol.

Molecular Properties

Compound Name3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol
PubChem CID56863870
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol
SMILESOc1cc(CCC2CCCCN2)cc(-c2ccncc2)c1
InChIInChI=1S/C18H22N2O/c21-18-12-14(4-5-17-3-1-2-8-20-17)11-16(13-18)15-6-9-19-10-7-15/h6-7,9-13,17,20-21H,1-5,8H2
InChIKeyGNOSEAFVRFCKGK-UHFFFAOYSA-N
XLogP3.53
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol?
The IUPAC name of 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol (CID 56863870) is 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol.
What is the SMILES notation for 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol?
The canonical SMILES for 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol is Oc1cc(CCC2CCCCN2)cc(-c2ccncc2)c1.
What is the InChIKey of 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol?
The InChIKey is GNOSEAFVRFCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18-12-14(4-5-17-3-1-2-8-20-17)11-16(13-18)15-6-9-19-10-7-15/h6-7,9-13,17,20-21H,1-5,8H2.
What are the key properties of 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol?
3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol has a molecular weight of 282.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-2-ylethyl)-5-pyridin-4-ylphenol is sourced from PubChem (CID 56863870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).