4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine

C16H28N2 — CID 178093909

IUPAC4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine
SMILESC=C(C1CCNCC1)N1CCC(/C(C)=C/C)CC1
InChIInChI=1S/C16H28N2/c1-4-13(2)15-7-11-18(12-8-15)14(3)16-5-9-17-10-6-16/h4,15-17H,3,5-12H2,1-2H3/b13-4+
InChIKeyXGABBMJLDBJVFB-YIXHJXPBSA-N
MW248.41 g/mol
LogP3.18
Rot. Bonds3

About 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine

4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine (PubChem CID 178093909) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine.

Molecular Properties

Compound Name4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine
PubChem CID178093909
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine
SMILESC=C(C1CCNCC1)N1CCC(/C(C)=C/C)CC1
InChIInChI=1S/C16H28N2/c1-4-13(2)15-7-11-18(12-8-15)14(3)16-5-9-17-10-6-16/h4,15-17H,3,5-12H2,1-2H3/b13-4+
InChIKeyXGABBMJLDBJVFB-YIXHJXPBSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.18
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 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine?
The IUPAC name of 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine (CID 178093909) is 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine.
What is the SMILES notation for 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine?
The canonical SMILES for 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine is C=C(C1CCNCC1)N1CCC(/C(C)=C/C)CC1.
What is the InChIKey of 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine?
The InChIKey is XGABBMJLDBJVFB-YIXHJXPBSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-13(2)15-7-11-18(12-8-15)14(3)16-5-9-17-10-6-16/h4,15-17H,3,5-12H2,1-2H3/b13-4+.
What are the key properties of 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine?
4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine has a molecular weight of 248.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-en-2-yl]-1-(1-piperidin-4-ylethenyl)piperidine is sourced from PubChem (CID 178093909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).