1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine

C19H29NO2 — CID 56681858

IUPAC1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine
SMILESc1cc(C2CCCCO2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H29NO2/c1-3-12-20(13-4-1)14-6-16-21-18-10-8-17(9-11-18)19-7-2-5-15-22-19/h8-11,19H,1-7,12-16H2
InChIKeyZYMQTVWPXPPWAB-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.18
Rot. Bonds6

About 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine

1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine (PubChem CID 56681858) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine
PubChem CID56681858
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine
SMILESc1cc(C2CCCCO2)ccc1OCCCN1CCCCC1
InChIInChI=1S/C19H29NO2/c1-3-12-20(13-4-1)14-6-16-21-18-10-8-17(9-11-18)19-7-2-5-15-22-19/h8-11,19H,1-7,12-16H2
InChIKeyZYMQTVWPXPPWAB-UHFFFAOYSA-N
XLogP4.18
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(oxan-2-yl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine (CID 56681858) is 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine is c1cc(C2CCCCO2)ccc1OCCCN1CCCCC1.
What is the InChIKey of 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine?
The InChIKey is ZYMQTVWPXPPWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-12-20(13-4-1)14-6-16-21-18-10-8-17(9-11-18)19-7-2-5-15-22-19/h8-11,19H,1-7,12-16H2.
What are the key properties of 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine?
1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine has a molecular weight of 303.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(oxan-2-yl)phenoxy]propyl]piperidine is sourced from PubChem (CID 56681858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).