1-(oxan-4-yl)-4-propan-2-ylpiperidine

C13H25NO — CID 59606930

IUPAC1-(oxan-4-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)12-3-7-14(8-4-12)13-5-9-15-10-6-13/h11-13H,3-10H2,1-2H3
InChIKeyBCJVFSROKWFIQO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.53
Rot. Bonds2

About 1-(oxan-4-yl)-4-propan-2-ylpiperidine

1-(oxan-4-yl)-4-propan-2-ylpiperidine (PubChem CID 59606930) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(oxan-4-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(oxan-4-yl)-4-propan-2-ylpiperidine
PubChem CID59606930
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(oxan-4-yl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)12-3-7-14(8-4-12)13-5-9-15-10-6-13/h11-13H,3-10H2,1-2H3
InChIKeyBCJVFSROKWFIQO-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(oxan-4-yl)-4-propan-2-ylpiperidine (CID 59606930) is 1-(oxan-4-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(oxan-4-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(oxan-4-yl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-4-propan-2-ylpiperidine?
The InChIKey is BCJVFSROKWFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(2)12-3-7-14(8-4-12)13-5-9-15-10-6-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-4-propan-2-ylpiperidine?
1-(oxan-4-yl)-4-propan-2-ylpiperidine has a molecular weight of 211.35 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 59606930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).