ethane;1-(2-methoxyethyl)piperidine;prop-1-ene

C13H29NO — CID 144616898

IUPACethane;1-(2-methoxyethyl)piperidine;prop-1-ene
SMILESC=CC.CC.COCCN1CCCCC1
InChIInChI=1S/C8H17NO.C3H6.C2H6/c1-10-8-7-9-5-3-2-4-6-9;1-3-2;1-2/h2-8H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyYTIXAFSVNOAWFH-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.34
Rot. Bonds3

About ethane;1-(2-methoxyethyl)piperidine;prop-1-ene

ethane;1-(2-methoxyethyl)piperidine;prop-1-ene (PubChem CID 144616898) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;1-(2-methoxyethyl)piperidine;prop-1-ene.

Molecular Properties

Compound Nameethane;1-(2-methoxyethyl)piperidine;prop-1-ene
PubChem CID144616898
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Nameethane;1-(2-methoxyethyl)piperidine;prop-1-ene
SMILESC=CC.CC.COCCN1CCCCC1
InChIInChI=1S/C8H17NO.C3H6.C2H6/c1-10-8-7-9-5-3-2-4-6-9;1-3-2;1-2/h2-8H2,1H3;3H,1H2,2H3;1-2H3
InChIKeyYTIXAFSVNOAWFH-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
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;1-(2-methoxyethyl)piperidine;prop-1-ene?
The IUPAC name of ethane;1-(2-methoxyethyl)piperidine;prop-1-ene (CID 144616898) is ethane;1-(2-methoxyethyl)piperidine;prop-1-ene.
What is the SMILES notation for ethane;1-(2-methoxyethyl)piperidine;prop-1-ene?
The canonical SMILES for ethane;1-(2-methoxyethyl)piperidine;prop-1-ene is C=CC.CC.COCCN1CCCCC1.
What is the InChIKey of ethane;1-(2-methoxyethyl)piperidine;prop-1-ene?
The InChIKey is YTIXAFSVNOAWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C3H6.C2H6/c1-10-8-7-9-5-3-2-4-6-9;1-3-2;1-2/h2-8H2,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;1-(2-methoxyethyl)piperidine;prop-1-ene?
ethane;1-(2-methoxyethyl)piperidine;prop-1-ene has a molecular weight of 215.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methoxyethyl)piperidine;prop-1-ene is sourced from PubChem (CID 144616898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).