1-[(E)-but-2-en-2-yl]-4-methoxypiperidine

C10H19NO — CID 144808690

IUPAC1-[(E)-but-2-en-2-yl]-4-methoxypiperidine
SMILESC/C=C(\C)N1CCC(OC)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)11-7-5-10(12-3)6-8-11/h4,10H,5-8H2,1-3H3/b9-4+
InChIKeyIHGFTKQANUEEHG-RUDMXATFSA-N
MW169.27 g/mol
LogP2.02
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine

1-[(E)-but-2-en-2-yl]-4-methoxypiperidine (PubChem CID 144808690) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-methoxypiperidine
PubChem CID144808690
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(E)-but-2-en-2-yl]-4-methoxypiperidine
SMILESC/C=C(\C)N1CCC(OC)CC1
InChIInChI=1S/C10H19NO/c1-4-9(2)11-7-5-10(12-3)6-8-11/h4,10H,5-8H2,1-3H3/b9-4+
InChIKeyIHGFTKQANUEEHG-RUDMXATFSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine (CID 144808690) is 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine is C/C=C(\C)N1CCC(OC)CC1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine?
The InChIKey is IHGFTKQANUEEHG-RUDMXATFSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-9(2)11-7-5-10(12-3)6-8-11/h4,10H,5-8H2,1-3H3/b9-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine?
1-[(E)-but-2-en-2-yl]-4-methoxypiperidine has a molecular weight of 169.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-methoxypiperidine is sourced from PubChem (CID 144808690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).