ethane;4-prop-2-enoxypiperidine

C12H27NO — CID 171805898

IUPACethane;4-prop-2-enoxypiperidine
SMILESC=CCOC1CCNCC1.CC.CC
InChIInChI=1S/C8H15NO.2C2H6/c1-2-7-10-8-3-5-9-6-4-8;2*1-2/h2,8-9H,1,3-7H2;2*1-2H3
InChIKeyBDPHYUCFKZPCRH-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.99
Rot. Bonds3

About ethane;4-prop-2-enoxypiperidine

ethane;4-prop-2-enoxypiperidine (PubChem CID 171805898) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;4-prop-2-enoxypiperidine.

Molecular Properties

Compound Nameethane;4-prop-2-enoxypiperidine
PubChem CID171805898
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;4-prop-2-enoxypiperidine
SMILESC=CCOC1CCNCC1.CC.CC
InChIInChI=1S/C8H15NO.2C2H6/c1-2-7-10-8-3-5-9-6-4-8;2*1-2/h2,8-9H,1,3-7H2;2*1-2H3
InChIKeyBDPHYUCFKZPCRH-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-prop-2-enoxypiperidine?
The IUPAC name of ethane;4-prop-2-enoxypiperidine (CID 171805898) is ethane;4-prop-2-enoxypiperidine.
What is the SMILES notation for ethane;4-prop-2-enoxypiperidine?
The canonical SMILES for ethane;4-prop-2-enoxypiperidine is C=CCOC1CCNCC1.CC.CC.
What is the InChIKey of ethane;4-prop-2-enoxypiperidine?
The InChIKey is BDPHYUCFKZPCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C2H6/c1-2-7-10-8-3-5-9-6-4-8;2*1-2/h2,8-9H,1,3-7H2;2*1-2H3.
What are the key properties of ethane;4-prop-2-enoxypiperidine?
ethane;4-prop-2-enoxypiperidine has a molecular weight of 201.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-prop-2-enoxypiperidine is sourced from PubChem (CID 171805898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).