1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine

C22H30F3N3O — CID 10294963

IUPAC1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
SMILESCC(C)=CCCN1CCC(COC2=NC(C(F)(F)F)CN2c2ccccc2)CC1
InChIInChI=1S/C22H30F3N3O/c1-17(2)7-6-12-27-13-10-18(11-14-27)16-29-21-26-20(22(23,24)25)15-28(21)19-8-4-3-5-9-19/h3-5,7-9,18,20H,6,10-16H2,1-2H3
InChIKeyCRSREKMZMRIJTI-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.88
Rot. Bonds6

About 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine

1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine (PubChem CID 10294963) has the molecular formula C22H30F3N3O and a molecular weight of 409.50 g/mol. Its IUPAC name is 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine.

Molecular Properties

Compound Name1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
PubChem CID10294963
Molecular FormulaC22H30F3N3O
Molecular Weight409.50 g/mol
Exact Mass409.23
IUPAC Name1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine
SMILESCC(C)=CCCN1CCC(COC2=NC(C(F)(F)F)CN2c2ccccc2)CC1
InChIInChI=1S/C22H30F3N3O/c1-17(2)7-6-12-27-13-10-18(11-14-27)16-29-21-26-20(22(23,24)25)15-28(21)19-8-4-3-5-9-19/h3-5,7-9,18,20H,6,10-16H2,1-2H3
InChIKeyCRSREKMZMRIJTI-UHFFFAOYSA-N
XLogP4.88
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
The IUPAC name of 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine (CID 10294963) is 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine.
What is the SMILES notation for 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
The canonical SMILES for 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine is CC(C)=CCCN1CCC(COC2=NC(C(F)(F)F)CN2c2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
The InChIKey is CRSREKMZMRIJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O/c1-17(2)7-6-12-27-13-10-18(11-14-27)16-29-21-26-20(22(23,24)25)15-28(21)19-8-4-3-5-9-19/h3-5,7-9,18,20H,6,10-16H2,1-2H3.
What are the key properties of 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine?
1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine has a molecular weight of 409.50 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-3-enyl)-4-[[1-phenyl-4-(trifluoromethyl)-4,5-dihydroimidazol-2-yl]oxymethyl]piperidine is sourced from PubChem (CID 10294963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).