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

C17H22FN3 — CID 86820594

IUPAC4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
SMILESCc1cnc(CC2CCNCC2)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-13-11-20-17(10-14-6-8-19-9-7-14)21(13)12-15-2-4-16(18)5-3-15/h2-5,11,14,19H,6-10,12H2,1H3
InChIKeyUEXGEWHKBKRPAY-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.92
Rot. Bonds4

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

4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine (PubChem CID 86820594) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
PubChem CID86820594
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine
SMILESCc1cnc(CC2CCNCC2)n1Cc1ccc(F)cc1
InChIInChI=1S/C17H22FN3/c1-13-11-20-17(10-14-6-8-19-9-7-14)21(13)12-15-2-4-16(18)5-3-15/h2-5,11,14,19H,6-10,12H2,1H3
InChIKeyUEXGEWHKBKRPAY-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 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The IUPAC name of 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine (CID 86820594) is 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine is Cc1cnc(CC2CCNCC2)n1Cc1ccc(F)cc1.
What is the InChIKey of 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
The InChIKey is UEXGEWHKBKRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13-11-20-17(10-14-6-8-19-9-7-14)21(13)12-15-2-4-16(18)5-3-15/h2-5,11,14,19H,6-10,12H2,1H3.
What are the key properties of 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine?
4-[[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 4-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine is sourced from PubChem (CID 86820594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).