1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride

C14H27ClN2 — CID 54609225

IUPAC1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride
SMILESC(=C/CN1CCCCC1)\CN1CCCCC1.Cl
InChIInChI=1S/C14H26N2.ClH/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h7-8H,1-6,9-14H2;1H/b8-7+;
InChIKeyXUGDLZLLTLGRFA-USRGLUTNSA-N
MW258.84 g/mol
LogP2.94
Rot. Bonds4

About 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride

1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride (PubChem CID 54609225) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride
PubChem CID54609225
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride
SMILESC(=C/CN1CCCCC1)\CN1CCCCC1.Cl
InChIInChI=1S/C14H26N2.ClH/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h7-8H,1-6,9-14H2;1H/b8-7+;
InChIKeyXUGDLZLLTLGRFA-USRGLUTNSA-N
XLogP2.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 52.94
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 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride?
The IUPAC name of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride (CID 54609225) is 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride is C(=C/CN1CCCCC1)\CN1CCCCC1.Cl.
What is the InChIKey of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride?
The InChIKey is XUGDLZLLTLGRFA-USRGLUTNSA-N. The full InChI is InChI=1S/C14H26N2.ClH/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h7-8H,1-6,9-14H2;1H/b8-7+;.
What are the key properties of 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride?
1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride has a molecular weight of 258.84 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-piperidin-1-ylbut-2-enyl]piperidine;hydrochloride is sourced from PubChem (CID 54609225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).