1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine

C15H21N3 — CID 58841096

IUPAC1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine
SMILESCc1ccc(N2CCN=C2N2CCCCC2)cc1
InChIInChI=1S/C15H21N3/c1-13-5-7-14(8-6-13)18-12-9-16-15(18)17-10-3-2-4-11-17/h5-8H,2-4,9-12H2,1H3
InChIKeyUWHZHQARAAQBQX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.66
Rot. Bonds1

About 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine

1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine (PubChem CID 58841096) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine
PubChem CID58841096
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine
SMILESCc1ccc(N2CCN=C2N2CCCCC2)cc1
InChIInChI=1S/C15H21N3/c1-13-5-7-14(8-6-13)18-12-9-16-15(18)17-10-3-2-4-11-17/h5-8H,2-4,9-12H2,1H3
InChIKeyUWHZHQARAAQBQX-UHFFFAOYSA-N
XLogP2.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine?
The IUPAC name of 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine (CID 58841096) is 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine.
What is the SMILES notation for 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine?
The canonical SMILES for 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine is Cc1ccc(N2CCN=C2N2CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine?
The InChIKey is UWHZHQARAAQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-13-5-7-14(8-6-13)18-12-9-16-15(18)17-10-3-2-4-11-17/h5-8H,2-4,9-12H2,1H3.
What are the key properties of 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine?
1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine has a molecular weight of 243.35 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)-4,5-dihydroimidazol-2-yl]piperidine is sourced from PubChem (CID 58841096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).