1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone

C15H22N2O2 — CID 119400816

IUPAC1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1cccc(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(2)19-14-5-3-4-13(10-14)11-15(18)17-8-6-16-7-9-17/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyFEYLZGAFNHYJNV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds4

About 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone

1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone (PubChem CID 119400816) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
PubChem CID119400816
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
SMILESCC(C)Oc1cccc(CC(=O)N2CCNCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(2)19-14-5-3-4-13(10-14)11-15(18)17-8-6-16-7-9-17/h3-5,10,12,16H,6-9,11H2,1-2H3
InChIKeyFEYLZGAFNHYJNV-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119644998
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 119173861
2-(3-iodophenyl)-1-piperazin-1-ylethanone
CID 119400955
2-(3-iodophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119400954
2-(3-propan-2-yloxyphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812892
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-(1,4-diazepan-1-yl)ethanone
CID 119416917
3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83951681
(2-ethyl-4-propan-2-yloxyphenyl)-piperazin-1-ylmethanone
CID 82267421

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone (CID 119400816) is 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone is CC(C)Oc1cccc(CC(=O)N2CCNCC2)c1.
What is the InChIKey of 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone?
The InChIKey is FEYLZGAFNHYJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)19-14-5-3-4-13(10-14)11-15(18)17-8-6-16-7-9-17/h3-5,10,12,16H,6-9,11H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone?
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 119400816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).