4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine

C18H28FN3 — CID 134292061

IUPAC4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine
SMILESC/C=C\C(=C(\C)C(C)F)c1cncn1CC1CCN(C)CC1
InChIInChI=1S/C18H28FN3/c1-5-6-17(14(2)15(3)19)18-11-20-13-22(18)12-16-7-9-21(4)10-8-16/h5-6,11,13,15-16H,7-10,12H2,1-4H3/b6-5-,17-14+
InChIKeyKSZDPPFFOKAFMI-QEVQMFJRSA-N
MW305.44 g/mol
LogP3.93
Rot. Bonds5

About 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine

4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine (PubChem CID 134292061) has the molecular formula C18H28FN3 and a molecular weight of 305.44 g/mol. Its IUPAC name is 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine
PubChem CID134292061
Molecular FormulaC18H28FN3
Molecular Weight305.44 g/mol
Exact Mass305.23
IUPAC Name4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine
SMILESC/C=C\C(=C(\C)C(C)F)c1cncn1CC1CCN(C)CC1
InChIInChI=1S/C18H28FN3/c1-5-6-17(14(2)15(3)19)18-11-20-13-22(18)12-16-7-9-21(4)10-8-16/h5-6,11,13,15-16H,7-10,12H2,1-4H3/b6-5-,17-14+
InChIKeyKSZDPPFFOKAFMI-QEVQMFJRSA-N
XLogP3.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.93
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 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine?
The IUPAC name of 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine (CID 134292061) is 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine?
The canonical SMILES for 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine is C/C=C\C(=C(\C)C(C)F)c1cncn1CC1CCN(C)CC1.
What is the InChIKey of 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine?
The InChIKey is KSZDPPFFOKAFMI-QEVQMFJRSA-N. The full InChI is InChI=1S/C18H28FN3/c1-5-6-17(14(2)15(3)19)18-11-20-13-22(18)12-16-7-9-21(4)10-8-16/h5-6,11,13,15-16H,7-10,12H2,1-4H3/b6-5-,17-14+.
What are the key properties of 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine?
4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine has a molecular weight of 305.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(2Z,4E)-6-fluoro-5-methylhepta-2,4-dien-4-yl]imidazol-1-yl]methyl]-1-methylpiperidine is sourced from PubChem (CID 134292061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).