1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene

C15H30N2O — CID 171641336

IUPAC1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene
SMILESC=CC.CCN1CCCC(OC2CCNCC2)C1
InChIInChI=1S/C12H24N2O.C3H6/c1-2-14-9-3-4-12(10-14)15-11-5-7-13-8-6-11;1-3-2/h11-13H,2-10H2,1H3;3H,1H2,2H3
InChIKeyPEOXNLHKURQNRZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds3

About 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene

1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene (PubChem CID 171641336) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene.

Molecular Properties

Compound Name1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene
PubChem CID171641336
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene
SMILESC=CC.CCN1CCCC(OC2CCNCC2)C1
InChIInChI=1S/C12H24N2O.C3H6/c1-2-14-9-3-4-12(10-14)15-11-5-7-13-8-6-11;1-3-2/h11-13H,2-10H2,1H3;3H,1H2,2H3
InChIKeyPEOXNLHKURQNRZ-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene?
The IUPAC name of 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene (CID 171641336) is 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene.
What is the SMILES notation for 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene?
The canonical SMILES for 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene is C=CC.CCN1CCCC(OC2CCNCC2)C1.
What is the InChIKey of 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene?
The InChIKey is PEOXNLHKURQNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C3H6/c1-2-14-9-3-4-12(10-14)15-11-5-7-13-8-6-11;1-3-2/h11-13H,2-10H2,1H3;3H,1H2,2H3.
What are the key properties of 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene?
1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene has a molecular weight of 254.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-piperidin-4-yloxypiperidine;prop-1-ene is sourced from PubChem (CID 171641336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).