4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine

C15H28N2 — CID 135265325

IUPAC4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine
SMILESC/C=C/CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N2/c1-3-4-5-14-6-12-17(13-7-14)15-8-10-16(2)11-9-15/h3-4,14-15H,5-13H2,1-2H3/b4-3+
InChIKeyOADJRPAOYBEYOP-ONEGZZNKSA-N
MW236.40 g/mol
LogP2.76
Rot. Bonds3

About 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine

4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine (PubChem CID 135265325) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine
PubChem CID135265325
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine
SMILESC/C=C/CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N2/c1-3-4-5-14-6-12-17(13-7-14)15-8-10-16(2)11-9-15/h3-4,14-15H,5-13H2,1-2H3/b4-3+
InChIKeyOADJRPAOYBEYOP-ONEGZZNKSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.76
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 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine?
The IUPAC name of 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine (CID 135265325) is 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine.
What is the SMILES notation for 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine?
The canonical SMILES for 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine is C/C=C/CC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine?
The InChIKey is OADJRPAOYBEYOP-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-4-5-14-6-12-17(13-7-14)15-8-10-16(2)11-9-15/h3-4,14-15H,5-13H2,1-2H3/b4-3+.
What are the key properties of 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine?
4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine has a molecular weight of 236.40 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enyl]-1-(1-methylpiperidin-4-yl)piperidine is sourced from PubChem (CID 135265325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).