(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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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).