1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine

C15H29NO — CID 90727497

IUPAC1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine
SMILESCCCC1CCN(CCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-3-14-4-9-16(10-5-14)11-6-15-7-12-17-13-8-15/h14-15H,2-13H2,1H3
InChIKeyGOBPTKOKGFWNAN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine

1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine (PubChem CID 90727497) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine
PubChem CID90727497
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine
SMILESCCCC1CCN(CCC2CCOCC2)CC1
InChIInChI=1S/C15H29NO/c1-2-3-14-4-9-16(10-5-14)11-6-15-7-12-17-13-8-15/h14-15H,2-13H2,1H3
InChIKeyGOBPTKOKGFWNAN-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine?
The IUPAC name of 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine (CID 90727497) is 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine.
What is the SMILES notation for 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine?
The canonical SMILES for 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine is CCCC1CCN(CCC2CCOCC2)CC1.
What is the InChIKey of 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine?
The InChIKey is GOBPTKOKGFWNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-14-4-9-16(10-5-14)11-6-15-7-12-17-13-8-15/h14-15H,2-13H2,1H3.
What are the key properties of 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine?
1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine has a molecular weight of 239.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)ethyl]-4-propylpiperidine is sourced from PubChem (CID 90727497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).