3-(oxan-4-yl)piperidine

C10H19NO — CID 82412654

IUPAC3-(oxan-4-yl)piperidine
SMILESC1CNCC(C2CCOCC2)C1
InChIInChI=1S/C10H19NO/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h9-11H,1-8H2
InChIKeyXZSBNFBGNDGGOL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About 3-(oxan-4-yl)piperidine

3-(oxan-4-yl)piperidine (PubChem CID 82412654) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name3-(oxan-4-yl)piperidine
PubChem CID82412654
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(oxan-4-yl)piperidine
SMILESC1CNCC(C2CCOCC2)C1
InChIInChI=1S/C10H19NO/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h9-11H,1-8H2
InChIKeyXZSBNFBGNDGGOL-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)piperidine?
The IUPAC name of 3-(oxan-4-yl)piperidine (CID 82412654) is 3-(oxan-4-yl)piperidine.
What is the SMILES notation for 3-(oxan-4-yl)piperidine?
The canonical SMILES for 3-(oxan-4-yl)piperidine is C1CNCC(C2CCOCC2)C1.
What is the InChIKey of 3-(oxan-4-yl)piperidine?
The InChIKey is XZSBNFBGNDGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10(8-11-5-1)9-3-6-12-7-4-9/h9-11H,1-8H2.
What are the key properties of 3-(oxan-4-yl)piperidine?
3-(oxan-4-yl)piperidine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)piperidine is sourced from PubChem (CID 82412654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).