1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine

C26H26N2O — CID 15723913

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C26H26N2O/c1-2-9-21(10-3-1)11-8-16-27-17-19-28(20-18-27)26-22-12-4-6-14-24(22)29-25-15-7-5-13-23(25)26/h1-15,26H,16-20H2/b11-8+
InChIKeyGFJWEWLIQWEVRI-DHZHZOJOSA-N
MW382.51 g/mol
LogP5.21
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine

1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine (PubChem CID 15723913) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
PubChem CID15723913
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C26H26N2O/c1-2-9-21(10-3-1)11-8-16-27-17-19-28(20-18-27)26-22-12-4-6-14-24(22)29-25-15-7-5-13-23(25)26/h1-15,26H,16-20H2/b11-8+
InChIKeyGFJWEWLIQWEVRI-DHZHZOJOSA-N
XLogP5.21
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-3-phenylprop-2-enyl]-4-(9H-thioxanthen-9-yl)piperazine
CID 15723912
1-(3-phenylprop-2-enyl)-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)piperazine
CID 54200816
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl 9H-xanthene-9-carboxylate
CID 13097984
2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;trihydrochloride
CID 70361738
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
CID 6916050
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine (CID 15723913) is 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine is C(=C/c1ccccc1)\CN1CCN(C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine?
The InChIKey is GFJWEWLIQWEVRI-DHZHZOJOSA-N. The full InChI is InChI=1S/C26H26N2O/c1-2-9-21(10-3-1)11-8-16-27-17-19-28(20-18-27)26-22-12-4-6-14-24(22)29-25-15-7-5-13-23(25)26/h1-15,26H,16-20H2/b11-8+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine?
1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine has a molecular weight of 382.51 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine is sourced from PubChem (CID 15723913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).