(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol

C18H19N3O — CID 90676908

IUPAC(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol
SMILESCN1C/C(=C\c2ccccn2)C(O)/C(=C/c2ccccn2)C1
InChIInChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11,18,22H,12-13H2,1H3/b14-10+,15-11+
InChIKeyQPXYCZPEFHRBFL-WFYKWJGLSA-N
MW293.37 g/mol
LogP2.25
Rot. Bonds2

About (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol

(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol (PubChem CID 90676908) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol.

Molecular Properties

Compound Name(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol
PubChem CID90676908
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol
SMILESCN1C/C(=C\c2ccccn2)C(O)/C(=C/c2ccccn2)C1
InChIInChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11,18,22H,12-13H2,1H3/b14-10+,15-11+
InChIKeyQPXYCZPEFHRBFL-WFYKWJGLSA-N
XLogP2.25
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol?
The IUPAC name of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol (CID 90676908) is (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol.
What is the SMILES notation for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol?
The canonical SMILES for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol is CN1C/C(=C\c2ccccn2)C(O)/C(=C/c2ccccn2)C1.
What is the InChIKey of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol?
The InChIKey is QPXYCZPEFHRBFL-WFYKWJGLSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11,18,22H,12-13H2,1H3/b14-10+,15-11+.
What are the key properties of (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol?
(3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol has a molecular weight of 293.37 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-1-methyl-3,5-bis(pyridin-2-ylmethylidene)piperidin-4-ol is sourced from PubChem (CID 90676908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).