(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine

C16H25N3 — CID 82042444

IUPAC(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine
SMILESCCN1CCN(C(/C=C\c2ccccc2)CN)CC1
InChIInChI=1S/C16H25N3/c1-2-18-10-12-19(13-11-18)16(14-17)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14,17H2,1H3/b9-8-
InChIKeyKTJZOVSPYYCVCH-HJWRWDBZSA-N
MW259.40 g/mol
LogP1.66
Rot. Bonds5

About (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine

(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine (PubChem CID 82042444) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine
PubChem CID82042444
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine
SMILESCCN1CCN(C(/C=C\c2ccccc2)CN)CC1
InChIInChI=1S/C16H25N3/c1-2-18-10-12-19(13-11-18)16(14-17)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14,17H2,1H3/b9-8-
InChIKeyKTJZOVSPYYCVCH-HJWRWDBZSA-N
XLogP1.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-(azepan-1-yl)-4-phenylbut-3-en-1-amine
CID 82041768
(Z)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbut-3-en-1-amine
CID 82043537
1-benzhydryl-4-[(1E,5E)-1,6-diphenylhexa-1,5-dien-3-yl]piperazine
CID 46784067
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
CID 122219060
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
ethyl 2-[4-[(E)-1-(4-methylpiperazin-1-yl)-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450434
1-amino-4-phenylbut-3-en-2-ol
CID 57176606
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
N-[1-[2-[4-[(E)-1-phenylpent-1-en-3-yl]piperazin-1-yl]pyrimidin-5-yl]ethenyl]hydroxylamine
CID 143172366
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
ethyl 2-[4-[(E)-1-morpholin-4-yl-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 58450444

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine?
The IUPAC name of (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine (CID 82042444) is (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine.
What is the SMILES notation for (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine?
The canonical SMILES for (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine is CCN1CCN(C(/C=C\c2ccccc2)CN)CC1.
What is the InChIKey of (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine?
The InChIKey is KTJZOVSPYYCVCH-HJWRWDBZSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-18-10-12-19(13-11-18)16(14-17)9-8-15-6-4-3-5-7-15/h3-9,16H,2,10-14,17H2,1H3/b9-8-.
What are the key properties of (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine?
(Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine has a molecular weight of 259.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-ethylpiperazin-1-yl)-4-phenylbut-3-en-1-amine is sourced from PubChem (CID 82042444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).