(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine

C16H20FN3O — CID 124625332

IUPAC(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
SMILESCOc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1F
InChIInChI=1S/C16H20FN3O/c1-21-14-7-4-5-12(15(14)17)11-20-10-3-2-6-13(20)16-18-8-9-19-16/h4-5,7-9,13H,2-3,6,10-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyZFQKNDRNZJFWBP-ZDUSSCGKSA-N
MW289.35 g/mol
LogP3.28
Rot. Bonds4

About (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine

(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine (PubChem CID 124625332) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
PubChem CID124625332
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
SMILESCOc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1F
InChIInChI=1S/C16H20FN3O/c1-21-14-7-4-5-12(15(14)17)11-20-10-3-2-6-13(20)16-18-8-9-19-16/h4-5,7-9,13H,2-3,6,10-11H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyZFQKNDRNZJFWBP-ZDUSSCGKSA-N
XLogP3.28
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]phenoxy]-N,N-dimethylacetamide
CID 75470838
1-[(5-fluoro-2-nitrophenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 71968465
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
methyl 3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 167929652
1-[(3,4-dimethylphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine
CID 174724026
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
N-[[6-[(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 124968382
2-(1-propylpyrrolidin-2-yl)-1H-imidazole
CID 131110525
3-[[2-(1H-imidazol-2-yl)piperidin-1-yl]methyl]benzamide
CID 126787531

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The IUPAC name of (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine (CID 124625332) is (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine.
What is the SMILES notation for (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The canonical SMILES for (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine is COc1cccc(CN2CCCC[C@H]2c2ncc[nH]2)c1F.
What is the InChIKey of (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
The InChIKey is ZFQKNDRNZJFWBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-21-14-7-4-5-12(15(14)17)11-20-10-3-2-6-13(20)16-18-8-9-19-16/h4-5,7-9,13H,2-3,6,10-11H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine?
(2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine has a molecular weight of 289.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-2-(1H-imidazol-2-yl)piperidine is sourced from PubChem (CID 124625332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).