3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine

C17H22FN3 — CID 86820591

IUPAC3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
SMILESCc1cnc(CC2CCCNC2)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-13-10-20-17(9-15-3-2-8-19-11-15)21(13)12-14-4-6-16(18)7-5-14/h4-7,10,15,19H,2-3,8-9,11-12H2,1H3
InChIKeySHSQTSLQBRPQRT-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.92
Rot. Bonds4

About 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine

3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine (PubChem CID 86820591) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
PubChem CID86820591
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
SMILESCc1cnc(CC2CCCNC2)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-13-10-20-17(9-15-3-2-8-19-11-15)21(13)12-14-4-6-16(18)7-5-14/h4-7,10,15,19H,2-3,8-9,11-12H2,1H3
InChIKeySHSQTSLQBRPQRT-UHFFFAOYSA-N
XLogP2.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine (CID 86820591) is 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine is Cc1cnc(CC2CCCNC2)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The InChIKey is SHSQTSLQBRPQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13-10-20-17(9-15-3-2-8-19-11-15)21(13)12-14-4-6-16(18)7-5-14/h4-7,10,15,19H,2-3,8-9,11-12H2,1H3.
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine has a molecular weight of 287.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 86820591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).