1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone

C18H26N2O — CID 159764673

IUPAC1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
SMILESC=C(c1ccc(C(C)(C)C)cc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O/c1-14(19-10-12-20(13-11-19)15(2)21)16-6-8-17(9-7-16)18(3,4)5/h6-9H,1,10-13H2,2-5H3
InChIKeyZWRGHXHYMHXDNS-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.12
Rot. Bonds2

About 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone

1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone (PubChem CID 159764673) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
PubChem CID159764673
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
SMILESC=C(c1ccc(C(C)(C)C)cc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H26N2O/c1-14(19-10-12-20(13-11-19)15(2)21)16-6-8-17(9-7-16)18(3,4)5/h6-9H,1,10-13H2,2-5H3
InChIKeyZWRGHXHYMHXDNS-UHFFFAOYSA-N
XLogP3.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
1-[2-(4-tert-butylbenzoyl)-2,6-diazaspiro[3.3]heptan-6-yl]ethanone
CID 121450349
(4-tert-butylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 113074817
copper 4-tert-butylbenzoic acid
CID 54604773
CID 67550053
CID 67550053
4-tert-butylbenzoic acid;copper
CID 67780260
1-(4-acetylpiperazin-1-yl)-2-(4-tert-butylphenoxy)ethanone
CID 78767794
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone (CID 159764673) is 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone is C=C(c1ccc(C(C)(C)C)cc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone?
The InChIKey is ZWRGHXHYMHXDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(19-10-12-20(13-11-19)15(2)21)16-6-8-17(9-7-16)18(3,4)5/h6-9H,1,10-13H2,2-5H3.
What are the key properties of 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone?
1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone has a molecular weight of 286.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159764673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).