3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine

C19H26FN3O — CID 91829440

IUPAC3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
SMILESCOCCn1cncc1CN1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O/c1-24-10-9-23-15-21-12-19(23)14-22-8-2-3-17(13-22)11-16-4-6-18(20)7-5-16/h4-7,12,15,17H,2-3,8-11,13-14H2,1H3
InChIKeySXZXLPHYUZDAJT-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.12
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine

3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine (PubChem CID 91829440) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
PubChem CID91829440
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
SMILESCOCCn1cncc1CN1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN3O/c1-24-10-9-23-15-21-12-19(23)14-22-8-2-3-17(13-22)11-16-4-6-18(20)7-5-16/h4-7,12,15,17H,2-3,8-11,13-14H2,1H3
InChIKeySXZXLPHYUZDAJT-UHFFFAOYSA-N
XLogP3.12
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 166615769
3-[2-(4-fluorophenyl)ethyl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidine
CID 56906309
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 91840373
5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 124753499
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 56862084
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
N-(2-methoxyethyl)-6-[[(3S)-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]methyl]pyridazin-3-amine
CID 95847136
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
N-[[1-[(3-propylimidazol-4-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 66153816
1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methylphenyl)-1,4-diazepane
CID 135095673

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine (CID 91829440) is 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine is COCCn1cncc1CN1CCCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine?
The InChIKey is SXZXLPHYUZDAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-24-10-9-23-15-21-12-19(23)14-22-8-2-3-17(13-22)11-16-4-6-18(20)7-5-16/h4-7,12,15,17H,2-3,8-11,13-14H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine?
3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine has a molecular weight of 331.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine is sourced from PubChem (CID 91829440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).