3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine

C16H23N3 — CID 90802411

IUPAC3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine
SMILESCCN1CCCC(c2ccc(C3=NCCN3)cc2)C1
InChIInChI=1S/C16H23N3/c1-2-19-11-3-4-15(12-19)13-5-7-14(8-6-13)16-17-9-10-18-16/h5-8,15H,2-4,9-12H2,1H3,(H,17,18)
InChIKeyXOTYHAKZOLZOGK-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.24
Rot. Bonds3

About 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine

3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine (PubChem CID 90802411) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine.

Molecular Properties

Compound Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine
PubChem CID90802411
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine
SMILESCCN1CCCC(c2ccc(C3=NCCN3)cc2)C1
InChIInChI=1S/C16H23N3/c1-2-19-11-3-4-15(12-19)13-5-7-14(8-6-13)16-17-9-10-18-16/h5-8,15H,2-4,9-12H2,1H3,(H,17,18)
InChIKeyXOTYHAKZOLZOGK-UHFFFAOYSA-N
XLogP2.24
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine?
The IUPAC name of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine (CID 90802411) is 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine.
What is the SMILES notation for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine?
The canonical SMILES for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine is CCN1CCCC(c2ccc(C3=NCCN3)cc2)C1.
What is the InChIKey of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine?
The InChIKey is XOTYHAKZOLZOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-19-11-3-4-15(12-19)13-5-7-14(8-6-13)16-17-9-10-18-16/h5-8,15H,2-4,9-12H2,1H3,(H,17,18).
What are the key properties of 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine?
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine has a molecular weight of 257.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-ethylpiperidine is sourced from PubChem (CID 90802411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).