1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine

C17H26ClNO — CID 127038668

IUPAC1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine
SMILESCC1CCN(CCCCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClNO/c1-15-9-12-19(13-10-15)11-3-2-4-14-20-17-7-5-16(18)6-8-17/h5-8,15H,2-4,9-14H2,1H3
InChIKeyOZPNEALQKHYBAJ-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.62
Rot. Bonds7

About 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine

1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine (PubChem CID 127038668) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine
PubChem CID127038668
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine
SMILESCC1CCN(CCCCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClNO/c1-15-9-12-19(13-10-15)11-3-2-4-14-20-17-7-5-16(18)6-8-17/h5-8,15H,2-4,9-14H2,1H3
InChIKeyOZPNEALQKHYBAJ-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine?
The IUPAC name of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine (CID 127038668) is 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine.
What is the SMILES notation for 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine?
The canonical SMILES for 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine is CC1CCN(CCCCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine?
The InChIKey is OZPNEALQKHYBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-15-9-12-19(13-10-15)11-3-2-4-14-20-17-7-5-16(18)6-8-17/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine?
1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenoxy)pentyl]-4-methylpiperidine is sourced from PubChem (CID 127038668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).