ethane;4-(oxolan-2-ylmethyl)piperidine

C12H25NO — CID 144801805

IUPACethane;4-(oxolan-2-ylmethyl)piperidine
SMILESC1COC(CC2CCNCC2)C1.CC
InChIInChI=1S/C10H19NO.C2H6/c1-2-10(12-7-1)8-9-3-5-11-6-4-9;1-2/h9-11H,1-8H2;1-2H3
InChIKeyDHKYLAZBWHVGKV-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds2

About ethane;4-(oxolan-2-ylmethyl)piperidine

ethane;4-(oxolan-2-ylmethyl)piperidine (PubChem CID 144801805) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;4-(oxolan-2-ylmethyl)piperidine.

Molecular Properties

Compound Nameethane;4-(oxolan-2-ylmethyl)piperidine
PubChem CID144801805
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;4-(oxolan-2-ylmethyl)piperidine
SMILESC1COC(CC2CCNCC2)C1.CC
InChIInChI=1S/C10H19NO.C2H6/c1-2-10(12-7-1)8-9-3-5-11-6-4-9;1-2/h9-11H,1-8H2;1-2H3
InChIKeyDHKYLAZBWHVGKV-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(oxolan-2-ylmethyl)piperidine?
The IUPAC name of ethane;4-(oxolan-2-ylmethyl)piperidine (CID 144801805) is ethane;4-(oxolan-2-ylmethyl)piperidine.
What is the SMILES notation for ethane;4-(oxolan-2-ylmethyl)piperidine?
The canonical SMILES for ethane;4-(oxolan-2-ylmethyl)piperidine is C1COC(CC2CCNCC2)C1.CC.
What is the InChIKey of ethane;4-(oxolan-2-ylmethyl)piperidine?
The InChIKey is DHKYLAZBWHVGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-2-10(12-7-1)8-9-3-5-11-6-4-9;1-2/h9-11H,1-8H2;1-2H3.
What are the key properties of ethane;4-(oxolan-2-ylmethyl)piperidine?
ethane;4-(oxolan-2-ylmethyl)piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(oxolan-2-ylmethyl)piperidine is sourced from PubChem (CID 144801805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).