1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone

C16H24N2O — CID 43794322

IUPAC1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H24N2O/c1-3-8-17-9-11-18(12-10-17)13-16(19)15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3
InChIKeySBFQNZMFWIVEPV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds5

About 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone

1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone (PubChem CID 43794322) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
PubChem CID43794322
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H24N2O/c1-3-8-17-9-11-18(12-10-17)13-16(19)15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3
InChIKeySBFQNZMFWIVEPV-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
1-(2-methylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030884
2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanone
CID 63622437
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylphenyl)ethanone
CID 82691118
1-(2-methylphenyl)-2-(4-methylsulfanylazepan-1-yl)ethanone
CID 114237550
3-(4,4-diethylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-one
CID 63482480
1-(4-bromophenyl)-2-(4-propylpiperazin-1-yl)ethanone
CID 43219918
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-2-one
CID 62025083
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone (CID 43794322) is 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(CC(=O)c2ccccc2C)CC1.
What is the InChIKey of 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is SBFQNZMFWIVEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-8-17-9-11-18(12-10-17)13-16(19)15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone?
1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 260.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 43794322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).