2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol

C23H24N2O2 — CID 16751393

IUPAC2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol
SMILESOc1ccccc1[C@@H]1CCC[C@@H](c2ccccc2O)N1Cc1ccccn1
InChIInChI=1S/C23H24N2O2/c26-22-13-3-1-9-18(22)20-11-7-12-21(19-10-2-4-14-23(19)27)25(20)16-17-8-5-6-15-24-17/h1-6,8-10,13-15,20-21,26-27H,7,11-12,16H2/t20-,21-/m0/s1
InChIKeyISVCPLLLNDUYCS-SFTDATJTSA-N
MW360.46 g/mol
LogP4.96
Rot. Bonds4

About 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol

2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol (PubChem CID 16751393) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol.

Molecular Properties

Compound Name2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol
PubChem CID16751393
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol
SMILESOc1ccccc1[C@@H]1CCC[C@@H](c2ccccc2O)N1Cc1ccccn1
InChIInChI=1S/C23H24N2O2/c26-22-13-3-1-9-18(22)20-11-7-12-21(19-10-2-4-14-23(19)27)25(20)16-17-8-5-6-15-24-17/h1-6,8-10,13-15,20-21,26-27H,7,11-12,16H2/t20-,21-/m0/s1
InChIKeyISVCPLLLNDUYCS-SFTDATJTSA-N
XLogP4.96
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Pirmenol
CID 65502
NoName_714
CID 135489221
1-Benzhydryl-4-(pyridin-2-yl)piperidin-4-ol
CID 10427620
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
3-Pyridinol, 5-benzyl-2-(piperidinomethyl)-
CID 744728
2-Phenyl-3-pyridinol
CID 18705

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol?
The IUPAC name of 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol (CID 16751393) is 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol.
What is the SMILES notation for 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol?
The canonical SMILES for 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol is Oc1ccccc1[C@@H]1CCC[C@@H](c2ccccc2O)N1Cc1ccccn1.
What is the InChIKey of 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol?
The InChIKey is ISVCPLLLNDUYCS-SFTDATJTSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22-13-3-1-9-18(22)20-11-7-12-21(19-10-2-4-14-23(19)27)25(20)16-17-8-5-6-15-24-17/h1-6,8-10,13-15,20-21,26-27H,7,11-12,16H2/t20-,21-/m0/s1.
What are the key properties of 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol?
2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol has a molecular weight of 360.46 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-(2-hydroxyphenyl)-1-(pyridin-2-ylmethyl)piperidin-2-yl]phenol is sourced from PubChem (CID 16751393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).