(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone

C18H21N3O2 — CID 86785861

IUPAC(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(O)c3)C(C)C2)n1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-8-17(19-13)20-9-10-21(14(2)12-20)18(23)15-6-4-7-16(22)11-15/h3-8,11,14,22H,9-10,12H2,1-2H3
InChIKeyCPAGBCNXKQYXRW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.45
Rot. Bonds2

About (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone

(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 86785861) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID86785861
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cccc(O)c3)C(C)C2)n1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-8-17(19-13)20-9-10-21(14(2)12-20)18(23)15-6-4-7-16(22)11-15/h3-8,11,14,22H,9-10,12H2,1-2H3
InChIKeyCPAGBCNXKQYXRW-UHFFFAOYSA-N
XLogP2.45
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 86785861) is (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)c3cccc(O)c3)C(C)C2)n1.
What is the InChIKey of (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is CPAGBCNXKQYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-3-8-17(19-13)20-9-10-21(14(2)12-20)18(23)15-6-4-7-16(22)11-15/h3-8,11,14,22H,9-10,12H2,1-2H3.
What are the key properties of (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86785861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).