1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one

C16H24N2O2 — CID 129211895

IUPAC1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCNC(c2ccc(OC)cc2C)C1
InChIInChI=1S/C16H24N2O2/c1-4-5-16(19)18-9-8-17-15(11-18)14-7-6-13(20-3)10-12(14)2/h6-7,10,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyOTWVIGCPMFGDLN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.28
Rot. Bonds4

About 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one

1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one (PubChem CID 129211895) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
PubChem CID129211895
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCNC(c2ccc(OC)cc2C)C1
InChIInChI=1S/C16H24N2O2/c1-4-5-16(19)18-9-8-17-15(11-18)14-7-6-13(20-3)10-12(14)2/h6-7,10,15,17H,4-5,8-9,11H2,1-3H3
InChIKeyOTWVIGCPMFGDLN-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one (CID 129211895) is 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCNC(c2ccc(OC)cc2C)C1.
What is the InChIKey of 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one?
The InChIKey is OTWVIGCPMFGDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-5-16(19)18-9-8-17-15(11-18)14-7-6-13(20-3)10-12(14)2/h6-7,10,15,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one?
1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-2-methylphenyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 129211895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).