1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine

C17H25N3O — CID 46880385

IUPAC1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine
SMILESc1cc(C2=NCCN2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C17H25N3O/c1-2-11-20(12-3-1)13-4-14-21-16-7-5-15(6-8-16)17-18-9-10-19-17/h5-8H,1-4,9-14H2,(H,18,19)
InChIKeyFUHXBQBWIURLSH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine

1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine (PubChem CID 46880385) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine
PubChem CID46880385
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine
SMILESc1cc(C2=NCCN2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C17H25N3O/c1-2-11-20(12-3-1)13-4-14-21-16-7-5-15(6-8-16)17-18-9-10-19-17/h5-8H,1-4,9-14H2,(H,18,19)
InChIKeyFUHXBQBWIURLSH-UHFFFAOYSA-N
XLogP2.29
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine (CID 46880385) is 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine is c1cc(C2=NCCN2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine?
The InChIKey is FUHXBQBWIURLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-11-20(12-3-1)13-4-14-21-16-7-5-15(6-8-16)17-18-9-10-19-17/h5-8H,1-4,9-14H2,(H,18,19).
What are the key properties of 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine?
1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine has a molecular weight of 287.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propyl]piperidine is sourced from PubChem (CID 46880385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).