[6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C25H26N2O2 — CID 56870750

IUPAC[6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C25H26N2O2/c28-23-8-4-7-21(17-23)24-12-11-22(18-26-24)25(29)27-15-13-20(14-16-27)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18,20,28H,9-10,13-16H2
InChIKeyBXCITALWDMRBGN-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.94
Rot. Bonds5

About [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 56870750) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID56870750
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C25H26N2O2/c28-23-8-4-7-21(17-23)24-12-11-22(18-26-24)25(29)27-15-13-20(14-16-27)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18,20,28H,9-10,13-16H2
InChIKeyBXCITALWDMRBGN-UHFFFAOYSA-N
XLogP4.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 56870750) is [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1ccc(-c2cccc(O)c2)nc1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is BXCITALWDMRBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-23-8-4-7-21(17-23)24-12-11-22(18-26-24)25(29)27-15-13-20(14-16-27)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18,20,28H,9-10,13-16H2.
What are the key properties of [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 386.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxyphenyl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56870750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).