(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine

C14H20ClN3 — CID 66046563

IUPAC(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
SMILESNC/C=C/CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3/c15-13-5-1-2-6-14(13)18-11-9-17(10-12-18)8-4-3-7-16/h1-6H,7-12,16H2/b4-3+
InChIKeyCZPLRFXMPSXJFT-ONEGZZNKSA-N
MW265.79 g/mol
LogP1.98
Rot. Bonds4

About (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine

(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine (PubChem CID 66046563) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
PubChem CID66046563
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine
SMILESNC/C=C/CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H20ClN3/c15-13-5-1-2-6-14(13)18-11-9-17(10-12-18)8-4-3-7-16/h1-6H,7-12,16H2/b4-3+
InChIKeyCZPLRFXMPSXJFT-ONEGZZNKSA-N
XLogP1.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione
CID 11774742
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126
(E)-3-(2-pyrrolidin-1-ylphenyl)prop-2-en-1-amine
CID 117291108
[5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62417134
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
2-[4-(2-chlorophenyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 43085181
1-[(E)-3-cyclohexylprop-2-enyl]-4-(2,3-dichlorophenyl)piperazine
CID 164673257
2-(4-but-2-enylpiperazin-1-yl)phenol
CID 71900763
2-[4-(2-chlorophenyl)piperazin-1-yl]propan-1-amine
CID 43118109
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine?
The IUPAC name of (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine (CID 66046563) is (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine.
What is the SMILES notation for (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine?
The canonical SMILES for (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine is NC/C=C/CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine?
The InChIKey is CZPLRFXMPSXJFT-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20ClN3/c15-13-5-1-2-6-14(13)18-11-9-17(10-12-18)8-4-3-7-16/h1-6H,7-12,16H2/b4-3+.
What are the key properties of (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine?
(E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine has a molecular weight of 265.79 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(2-chlorophenyl)piperazin-1-yl]but-2-en-1-amine is sourced from PubChem (CID 66046563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).