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

C18H20FN3O2 — CID 75438518

IUPAC(2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(O)c(CN2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C18H20FN3O2/c1-13-6-7-17(23)16(20-13)12-21-8-10-22(11-9-21)18(24)14-4-2-3-5-15(14)19/h2-7,23H,8-12H2,1H3
InChIKeyTUJBWQVLBPDRGY-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.19
Rot. Bonds3

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

(2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (PubChem CID 75438518) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
PubChem CID75438518
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name(2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(O)c(CN2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C18H20FN3O2/c1-13-6-7-17(23)16(20-13)12-21-8-10-22(11-9-21)18(24)14-4-2-3-5-15(14)19/h2-7,23H,8-12H2,1H3
InChIKeyTUJBWQVLBPDRGY-UHFFFAOYSA-N
XLogP2.19
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone (CID 75438518) is (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is Cc1ccc(O)c(CN2CCN(C(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
The InChIKey is TUJBWQVLBPDRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-6-7-17(23)16(20-13)12-21-8-10-22(11-9-21)18(24)14-4-2-3-5-15(14)19/h2-7,23H,8-12H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 75438518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).