1-[(E)-but-2-enyl]piperidine;hydrochloride

C9H18ClN — CID 12823415

IUPAC1-[(E)-but-2-enyl]piperidine;hydrochloride
SMILESC/C=C/CN1CCCCC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h2-3H,4-9H2,1H3;1H/b3-2+;
InChIKeyBMAPLHOSVOAMMB-SQQVDAMQSA-N
MW175.70 g/mol
LogP2.47
Rot. Bonds2

About 1-[(E)-but-2-enyl]piperidine;hydrochloride

1-[(E)-but-2-enyl]piperidine;hydrochloride (PubChem CID 12823415) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]piperidine;hydrochloride
PubChem CID12823415
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name1-[(E)-but-2-enyl]piperidine;hydrochloride
SMILESC/C=C/CN1CCCCC1.Cl
InChIInChI=1S/C9H17N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h2-3H,4-9H2,1H3;1H/b3-2+;
InChIKeyBMAPLHOSVOAMMB-SQQVDAMQSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-but-2-enyl]piperidine;hydrochloride?
The IUPAC name of 1-[(E)-but-2-enyl]piperidine;hydrochloride (CID 12823415) is 1-[(E)-but-2-enyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[(E)-but-2-enyl]piperidine;hydrochloride?
The canonical SMILES for 1-[(E)-but-2-enyl]piperidine;hydrochloride is C/C=C/CN1CCCCC1.Cl.
What is the InChIKey of 1-[(E)-but-2-enyl]piperidine;hydrochloride?
The InChIKey is BMAPLHOSVOAMMB-SQQVDAMQSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-2-3-7-10-8-5-4-6-9-10;/h2-3H,4-9H2,1H3;1H/b3-2+;.
What are the key properties of 1-[(E)-but-2-enyl]piperidine;hydrochloride?
1-[(E)-but-2-enyl]piperidine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]piperidine;hydrochloride is sourced from PubChem (CID 12823415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).