2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine

C16H21F2N3 — CID 141166738

IUPAC2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine
SMILESCC1=NC(CN2CCC(c3ccccc3F)CC2F)NC1
InChIInChI=1S/C16H21F2N3/c1-11-9-19-16(20-11)10-21-7-6-12(8-15(21)18)13-4-2-3-5-14(13)17/h2-5,12,15-16,19H,6-10H2,1H3
InChIKeyMJOTVNOTFMWAKT-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.69
Rot. Bonds3

About 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine

2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine (PubChem CID 141166738) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine
PubChem CID141166738
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC Name2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine
SMILESCC1=NC(CN2CCC(c3ccccc3F)CC2F)NC1
InChIInChI=1S/C16H21F2N3/c1-11-9-19-16(20-11)10-21-7-6-12(8-15(21)18)13-4-2-3-5-14(13)17/h2-5,12,15-16,19H,6-10H2,1H3
InChIKeyMJOTVNOTFMWAKT-UHFFFAOYSA-N
XLogP2.69
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-Bis(4-fluorophenyl)butyl)piperazine
CID 79729
(2S)-2-butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine
CID 23723049
N'-[1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]-N-[2-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 16076350
N'-[1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 16076354
N'-[1,3-bis(2-ethylhexyl)-5-methyl-hexahydropyrimidin-5-yl]-N-[2-(2-fluorophenyl)ethyl]ethane-1,2-diamine
CID 16076405
2-Butan-2-yl-1-[2-(3-fluorophenyl)ethyl]piperazine
CID 73756068
1-[3,3-Bis(4-fluorophenyl)propyl]piperazine
CID 13883282
1-[5,5-Bis(4-fluorophenyl)pentyl]-3-methylpiperazine
CID 15087730
1-[5,5-Bis(4-fluorophenyl)pentyl]-2-methylpiperazine
CID 15087731
1-[5,5-Bis(4-fluorophenyl)pentyl]-3-propan-2-ylpiperazine
CID 15087733
N'-[[(3S,4S)-4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl]ethane-1,2-diamine
CID 15232718
2-[1-(4-Fluorophenyl)ethyl]piperazine
CID 17810928

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine?
The IUPAC name of 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine (CID 141166738) is 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine?
The canonical SMILES for 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine is CC1=NC(CN2CCC(c3ccccc3F)CC2F)NC1.
What is the InChIKey of 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine?
The InChIKey is MJOTVNOTFMWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-11-9-19-16(20-11)10-21-7-6-12(8-15(21)18)13-4-2-3-5-14(13)17/h2-5,12,15-16,19H,6-10H2,1H3.
What are the key properties of 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine?
2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine has a molecular weight of 293.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluorophenyl)-1-[(4-methyl-2,5-dihydro-1H-imidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 141166738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).