1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone

C19H23N3O2 — CID 24763032

IUPAC1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCc1cccc(N2CCN(C(=O)COCc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O2/c1-16-6-5-9-18(20-16)21-10-12-22(13-11-21)19(23)15-24-14-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3
InChIKeyAXFUKWWAHKTVTQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.26
Rot. Bonds5

About 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 24763032) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID24763032
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCc1cccc(N2CCN(C(=O)COCc3ccccc3)CC2)n1
InChIInChI=1S/C19H23N3O2/c1-16-6-5-9-18(20-16)21-10-12-22(13-11-21)19(23)15-24-14-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3
InChIKeyAXFUKWWAHKTVTQ-UHFFFAOYSA-N
XLogP2.26
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone (CID 24763032) is 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone is Cc1cccc(N2CCN(C(=O)COCc3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is AXFUKWWAHKTVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-16-6-5-9-18(20-16)21-10-12-22(13-11-21)19(23)15-24-14-17-7-3-2-4-8-17/h2-9H,10-15H2,1H3.
What are the key properties of 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 325.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 24763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).