1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine

C20H33F3N2 — CID 167283594

IUPAC1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine
SMILESC/C=C\C(=C(C)C)/C(CN1CCN(CCC(F)(F)F)CC1)=C(\C)CC
InChIInChI=1S/C20H33F3N2/c1-6-8-18(16(3)4)19(17(5)7-2)15-25-13-11-24(12-14-25)10-9-20(21,22)23/h6,8H,7,9-15H2,1-5H3/b8-6-,19-17+
InChIKeyTYLTUIPMDVOPHZ-JYYQVZLLSA-N
MW358.49 g/mol
LogP5.20
Rot. Bonds7

About 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine

1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine (PubChem CID 167283594) has the molecular formula C20H33F3N2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine
PubChem CID167283594
Molecular FormulaC20H33F3N2
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine
SMILESC/C=C\C(=C(C)C)/C(CN1CCN(CCC(F)(F)F)CC1)=C(\C)CC
InChIInChI=1S/C20H33F3N2/c1-6-8-18(16(3)4)19(17(5)7-2)15-25-13-11-24(12-14-25)10-9-20(21,22)23/h6,8H,7,9-15H2,1-5H3/b8-6-,19-17+
InChIKeyTYLTUIPMDVOPHZ-JYYQVZLLSA-N
XLogP5.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine (CID 167283594) is 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine is C/C=C\C(=C(C)C)/C(CN1CCN(CCC(F)(F)F)CC1)=C(\C)CC.
What is the InChIKey of 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is TYLTUIPMDVOPHZ-JYYQVZLLSA-N. The full InChI is InChI=1S/C20H33F3N2/c1-6-8-18(16(3)4)19(17(5)7-2)15-25-13-11-24(12-14-25)10-9-20(21,22)23/h6,8H,7,9-15H2,1-5H3/b8-6-,19-17+.
What are the key properties of 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine?
1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 358.49 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2Z)-2-butan-2-ylidene-3-propan-2-ylidenehex-4-enyl]-4-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 167283594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).