2-(4-methylpiperazin-2-yl)-1-phenylethanone

C13H18N2O — CID 116919993

IUPAC2-(4-methylpiperazin-2-yl)-1-phenylethanone
SMILESCN1CCNC(CC(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-15-8-7-14-12(10-15)9-13(16)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKeyYPXMOXKQHYZGCA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.16
Rot. Bonds3

About 2-(4-methylpiperazin-2-yl)-1-phenylethanone

2-(4-methylpiperazin-2-yl)-1-phenylethanone (PubChem CID 116919993) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-1-phenylethanone
PubChem CID116919993
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-methylpiperazin-2-yl)-1-phenylethanone
SMILESCN1CCNC(CC(=O)c2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-15-8-7-14-12(10-15)9-13(16)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKeyYPXMOXKQHYZGCA-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Pentedrone
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4-(4-Fluorobenzoyl)piperidine
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Ethcathinone
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Primaperone
CID 14641

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-1-phenylethanone?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-1-phenylethanone (CID 116919993) is 2-(4-methylpiperazin-2-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-1-phenylethanone is CN1CCNC(CC(=O)c2ccccc2)C1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-1-phenylethanone?
The InChIKey is YPXMOXKQHYZGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-8-7-14-12(10-15)9-13(16)11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-1-phenylethanone?
2-(4-methylpiperazin-2-yl)-1-phenylethanone has a molecular weight of 218.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)-1-phenylethanone is sourced from PubChem (CID 116919993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).