4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine

C21H28FN3O2 — CID 70727403

IUPAC4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)c(CN2CCC(c3nccn3CC3CC3)CC2)cc1OC
InChIInChI=1S/C21H28FN3O2/c1-26-19-11-17(18(22)12-20(19)27-2)14-24-8-5-16(6-9-24)21-23-7-10-25(21)13-15-3-4-15/h7,10-12,15-16H,3-6,8-9,13-14H2,1-2H3
InChIKeyLSEVYKZZGGBHKY-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.83
Rot. Bonds7

About 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine

4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine (PubChem CID 70727403) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
PubChem CID70727403
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
SMILESCOc1cc(F)c(CN2CCC(c3nccn3CC3CC3)CC2)cc1OC
InChIInChI=1S/C21H28FN3O2/c1-26-19-11-17(18(22)12-20(19)27-2)14-24-8-5-16(6-9-24)21-23-7-10-25(21)13-15-3-4-15/h7,10-12,15-16H,3-6,8-9,13-14H2,1-2H3
InChIKeyLSEVYKZZGGBHKY-UHFFFAOYSA-N
XLogP3.83
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-[1-[(3,4,5-trimethoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 3676593
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 74244251
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72863467
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-6,6-dimethylazepan-4-ol
CID 131915575
(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[(3,5-dimethoxyphenyl)methyl]piperidine
CID 97202491
1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)-1,4-diazepane
CID 23904287
4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[2-(oxolan-3-yl)ethyl]piperidine
CID 70740839
4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine;dihydrochloride
CID 75485592
[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 70728553
2-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-5-methoxypyrimidine
CID 70777559
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
2-cyclopentyl-1-[(1-methylpyrrolidin-3-yl)methyl]imidazole
CID 155911076

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine (CID 70727403) is 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine is COc1cc(F)c(CN2CCC(c3nccn3CC3CC3)CC2)cc1OC.
What is the InChIKey of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
The InChIKey is LSEVYKZZGGBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-26-19-11-17(18(22)12-20(19)27-2)14-24-8-5-16(6-9-24)21-23-7-10-25(21)13-15-3-4-15/h7,10-12,15-16H,3-6,8-9,13-14H2,1-2H3.
What are the key properties of 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine?
4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine has a molecular weight of 373.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)imidazol-2-yl]-1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine is sourced from PubChem (CID 70727403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).