2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one

C17H26N2O2 — CID 24696652

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)15-6-5-13(3)11-16(15)21-14(4)17(20)19-9-7-18-8-10-19/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyNZOUDIOKOGJEQQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds4

About 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one

2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 24696652) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID24696652
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(C(C)C)c(OC(C)C(=O)N2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)15-6-5-13(3)11-16(15)21-14(4)17(20)19-9-7-18-8-10-19/h5-6,11-12,14,18H,7-10H2,1-4H3
InChIKeyNZOUDIOKOGJEQQ-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 64855022
4-hydroxy-1-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119250789
2-(4-bromo-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 115402268
(2R)-1-[(3S)-3-aminopyrrolidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 124588788
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051
6-[2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174445
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 94055687
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 119664096
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one
CID 55918183
2-[methyl-[(4R)-1-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399215
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one;hydrochloride
CID 119664095
2-[methyl-[(4S)-1-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399213

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one (CID 24696652) is 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one is Cc1ccc(C(C)C)c(OC(C)C(=O)N2CCNCC2)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is NZOUDIOKOGJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)15-6-5-13(3)11-16(15)21-14(4)17(20)19-9-7-18-8-10-19/h5-6,11-12,14,18H,7-10H2,1-4H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one?
2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 24696652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).