1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone

C16H24N2O2 — CID 115593324

IUPAC1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
SMILESCc1ccccc1N1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)20-12-16(19)18-10-8-17(9-11-18)15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3
InChIKeyATNHZBZNJDEMKS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone

1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 115593324) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
PubChem CID115593324
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone
SMILESCc1ccccc1N1CCN(C(=O)COC(C)C)CC1
InChIInChI=1S/C16H24N2O2/c1-13(2)20-12-16(19)18-10-8-17(9-11-18)15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3
InChIKeyATNHZBZNJDEMKS-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone with MolForge

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Related Compounds

5-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]hexane-1,4-dione
CID 121449060
2-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 60662805
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
2-(cyclopropylmethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 61254430
3-(4-methylphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 112803742
1-cyclopropyl-4-[4-(2-methylphenyl)piperazin-1-yl]butane-1,4-dione
CID 121449078
3-(ethylamino)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 62834057
2-tert-butylsulfanyl-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 112766349
3-amino-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952731
ethyl 2-[[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097511
1-[4-(2-methylphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 112766306

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone (CID 115593324) is 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone is Cc1ccccc1N1CCN(C(=O)COC(C)C)CC1.
What is the InChIKey of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is ATNHZBZNJDEMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)20-12-16(19)18-10-8-17(9-11-18)15-7-5-4-6-14(15)3/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone?
1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 276.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenyl)piperazin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 115593324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).