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

C17H23N3 — CID 176515378

IUPAC4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
SMILESCc1cnc(CC2CCNCC2)n1Cc1ccccc1
InChIInChI=1S/C17H23N3/c1-14-12-19-17(11-15-7-9-18-10-8-15)20(14)13-16-5-3-2-4-6-16/h2-6,12,15,18H,7-11,13H2,1H3
InChIKeyPMFSQOVNRGJOLO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.78
Rot. Bonds4

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

4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine (PubChem CID 176515378) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
PubChem CID176515378
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
SMILESCc1cnc(CC2CCNCC2)n1Cc1ccccc1
InChIInChI=1S/C17H23N3/c1-14-12-19-17(11-15-7-9-18-10-8-15)20(14)13-16-5-3-2-4-6-16/h2-6,12,15,18H,7-11,13H2,1H3
InChIKeyPMFSQOVNRGJOLO-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine (CID 176515378) is 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine is Cc1cnc(CC2CCNCC2)n1Cc1ccccc1.
What is the InChIKey of 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine?
The InChIKey is PMFSQOVNRGJOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-12-19-17(11-15-7-9-18-10-8-15)20(14)13-16-5-3-2-4-6-16/h2-6,12,15,18H,7-11,13H2,1H3.
What are the key properties of 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine?
4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine has a molecular weight of 269.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 176515378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).