4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine

C16H20FN3 — CID 56982556

IUPAC4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
SMILESCN1CCC(c2nccn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3/c1-19-9-6-14(7-10-19)16-18-8-11-20(16)12-13-2-4-15(17)5-3-13/h2-5,8,11,14H,6-7,9-10,12H2,1H3
InChIKeyGLJPTXXQZDBFGH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.88
Rot. Bonds3

About 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine

4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine (PubChem CID 56982556) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
PubChem CID56982556
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
SMILESCN1CCC(c2nccn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3/c1-19-9-6-14(7-10-19)16-18-8-11-20(16)12-13-2-4-15(17)5-3-13/h2-5,8,11,14H,6-7,9-10,12H2,1H3
InChIKeyGLJPTXXQZDBFGH-UHFFFAOYSA-N
XLogP2.88
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[1-[2-(2-methylimidazol-1-yl)ethyl]imidazol-2-yl]piperidine
CID 56861899
N-methyl-2-[2-(1-methylpiperidin-4-yl)imidazol-1-yl]ethanamine
CID 135170249
4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
CID 82561564
1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
CID 82562055
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
N-(5-chloro-2-fluorophenyl)-4-[1-[(3,5-dimethoxyphenyl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3787464
disilver;1,4-difluorobenzene;bis(2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole);ditetrafluoroborate
CID 139198488
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 97284668
N-[4-[[4-[1-[(4-propan-2-ylphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 3763193
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine (CID 56982556) is 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine is CN1CCC(c2nccn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine?
The InChIKey is GLJPTXXQZDBFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3/c1-19-9-6-14(7-10-19)16-18-8-11-20(16)12-13-2-4-15(17)5-3-13/h2-5,8,11,14H,6-7,9-10,12H2,1H3.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine?
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine has a molecular weight of 273.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine is sourced from PubChem (CID 56982556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).