1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone

C17H26N2O2 — CID 806922

IUPAC1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCC[C@@H](C)N1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-15(3)18-9-11-19(12-10-18)17(20)13-21-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3/t15-/m1/s1
InChIKeyKWCCISIJRRAYES-OAHLLOKOSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds5

About 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 806922) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID806922
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCC[C@@H](C)N1CCN(C(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-15(3)18-9-11-19(12-10-18)17(20)13-21-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3/t15-/m1/s1
InChIKeyKWCCISIJRRAYES-OAHLLOKOSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
1-[4-(3-methylbutyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113075017
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2,2,2-trifluoro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108533453
4-chloro-1-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108569907
4-[2-(4-methylphenoxy)acetyl]-N-propylpiperazine-1-carboxamide
CID 110365950
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
4-[2-(4-methylphenoxy)acetyl]-1-propan-2-ylpiperazin-2-one
CID 110709007
(3R)-3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]butanenitrile
CID 94498307
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]butanenitrile
CID 51091678

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone (CID 806922) is 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone is CC[C@@H](C)N1CCN(C(=O)COc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is KWCCISIJRRAYES-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-15(3)18-9-11-19(12-10-18)17(20)13-21-16-7-5-14(2)6-8-16/h5-8,15H,4,9-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 806922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).