2,2-bis(prop-2-enyl)piperidine;hydrochloride

C11H20ClN — CID 17386044

IUPAC2,2-bis(prop-2-enyl)piperidine;hydrochloride
SMILESC=CCC1(CC=C)CCCCN1.Cl
InChIInChI=1S/C11H19N.ClH/c1-3-7-11(8-4-2)9-5-6-10-12-11;/h3-4,12H,1-2,5-10H2;1H
InChIKeyRCBADOSIQUICOW-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.07
Rot. Bonds4

About 2,2-bis(prop-2-enyl)piperidine;hydrochloride

2,2-bis(prop-2-enyl)piperidine;hydrochloride (PubChem CID 17386044) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)piperidine;hydrochloride
PubChem CID17386044
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name2,2-bis(prop-2-enyl)piperidine;hydrochloride
SMILESC=CCC1(CC=C)CCCCN1.Cl
InChIInChI=1S/C11H19N.ClH/c1-3-7-11(8-4-2)9-5-6-10-12-11;/h3-4,12H,1-2,5-10H2;1H
InChIKeyRCBADOSIQUICOW-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.07
H-Bond Donors ≤ 51
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 2,2-bis(prop-2-enyl)piperidine;hydrochloride?
The IUPAC name of 2,2-bis(prop-2-enyl)piperidine;hydrochloride (CID 17386044) is 2,2-bis(prop-2-enyl)piperidine;hydrochloride.
What is the SMILES notation for 2,2-bis(prop-2-enyl)piperidine;hydrochloride?
The canonical SMILES for 2,2-bis(prop-2-enyl)piperidine;hydrochloride is C=CCC1(CC=C)CCCCN1.Cl.
What is the InChIKey of 2,2-bis(prop-2-enyl)piperidine;hydrochloride?
The InChIKey is RCBADOSIQUICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.ClH/c1-3-7-11(8-4-2)9-5-6-10-12-11;/h3-4,12H,1-2,5-10H2;1H.
What are the key properties of 2,2-bis(prop-2-enyl)piperidine;hydrochloride?
2,2-bis(prop-2-enyl)piperidine;hydrochloride has a molecular weight of 201.74 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)piperidine;hydrochloride is sourced from PubChem (CID 17386044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).