ethane;4-(oxan-4-yl)piperidine

C12H25NO — CID 142475221

IUPACethane;4-(oxan-4-yl)piperidine
SMILESC1CC(C2CCOCC2)CCN1.CC
InChIInChI=1S/C10H19NO.C2H6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2/h9-11H,1-8H2;1-2H3
InChIKeyCSSZURGPDFVDCP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds1

About ethane;4-(oxan-4-yl)piperidine

ethane;4-(oxan-4-yl)piperidine (PubChem CID 142475221) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Nameethane;4-(oxan-4-yl)piperidine
PubChem CID142475221
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;4-(oxan-4-yl)piperidine
SMILESC1CC(C2CCOCC2)CCN1.CC
InChIInChI=1S/C10H19NO.C2H6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2/h9-11H,1-8H2;1-2H3
InChIKeyCSSZURGPDFVDCP-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(oxan-4-yl)piperidine?
The IUPAC name of ethane;4-(oxan-4-yl)piperidine (CID 142475221) is ethane;4-(oxan-4-yl)piperidine.
What is the SMILES notation for ethane;4-(oxan-4-yl)piperidine?
The canonical SMILES for ethane;4-(oxan-4-yl)piperidine is C1CC(C2CCOCC2)CCN1.CC.
What is the InChIKey of ethane;4-(oxan-4-yl)piperidine?
The InChIKey is CSSZURGPDFVDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;1-2/h9-11H,1-8H2;1-2H3.
What are the key properties of ethane;4-(oxan-4-yl)piperidine?
ethane;4-(oxan-4-yl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(oxan-4-yl)piperidine is sourced from PubChem (CID 142475221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).