1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine

C17H24N2S — CID 6916050

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(C2CCSC2)CC1
InChIInChI=1S/C17H24N2S/c1-2-5-16(6-3-1)7-4-9-18-10-12-19(13-11-18)17-8-14-20-15-17/h1-7,17H,8-15H2/b7-4+
InChIKeyKPGDSVYIPIXFOR-QPJJXVBHSA-N
MW288.46 g/mol
LogP2.82
Rot. Bonds4

About 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine

1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine (PubChem CID 6916050) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
PubChem CID6916050
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(C2CCSC2)CC1
InChIInChI=1S/C17H24N2S/c1-2-5-16(6-3-1)7-4-9-18-10-12-19(13-11-18)17-8-14-20-15-17/h1-7,17H,8-15H2/b7-4+
InChIKeyKPGDSVYIPIXFOR-QPJJXVBHSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
CID 7074526
1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
1-[(E)-3-phenylprop-2-enyl]-4-(9H-thioxanthen-9-yl)piperazine
CID 15723912
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757208
1-[(E)-3-phenylprop-2-enyl]-4-(9H-xanthen-9-yl)piperazine
CID 15723913
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(thiolan-3-yloxy)-3-pyridinyl]methanone
CID 117054396

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine (CID 6916050) is 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine is C(=C/c1ccccc1)\CN1CCN(C2CCSC2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine?
The InChIKey is KPGDSVYIPIXFOR-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H24N2S/c1-2-5-16(6-3-1)7-4-9-18-10-12-19(13-11-18)17-8-14-20-15-17/h1-7,17H,8-15H2/b7-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine?
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine has a molecular weight of 288.46 g/mol, XLogP of 2.82, 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-(thiolan-3-yl)piperazine is sourced from PubChem (CID 6916050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).