1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine

C16H25FN2O — CID 139353776

IUPAC1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine
SMILESC=C(C)/C=C\C(=C\F)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H25FN2O/c1-14(2)3-4-16(13-17)19-9-7-18(8-10-19)15-5-11-20-12-6-15/h3-4,13,15H,1,5-12H2,2H3/b4-3-,16-13-
InChIKeyFHRCKLXGQUFFBZ-DOYVMUTJSA-N
MW280.39 g/mol
LogP2.73
Rot. Bonds4

About 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine

1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine (PubChem CID 139353776) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine
PubChem CID139353776
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine
SMILESC=C(C)/C=C\C(=C\F)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C16H25FN2O/c1-14(2)3-4-16(13-17)19-9-7-18(8-10-19)15-5-11-20-12-6-15/h3-4,13,15H,1,5-12H2,2H3/b4-3-,16-13-
InChIKeyFHRCKLXGQUFFBZ-DOYVMUTJSA-N
XLogP2.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine (CID 139353776) is 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine is C=C(C)/C=C\C(=C\F)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine?
The InChIKey is FHRCKLXGQUFFBZ-DOYVMUTJSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-14(2)3-4-16(13-17)19-9-7-18(8-10-19)15-5-11-20-12-6-15/h3-4,13,15H,1,5-12H2,2H3/b4-3-,16-13-.
What are the key properties of 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine?
1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine has a molecular weight of 280.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3Z)-1-fluoro-5-methylhexa-1,3,5-trien-2-yl]-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 139353776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).