4-hexylidenepiperidine;hydrochloride

C11H22ClN — CID 18963728

IUPAC4-hexylidenepiperidine;hydrochloride
SMILESCCCCCC=C1CCNCC1.Cl
InChIInChI=1S/C11H21N.ClH/c1-2-3-4-5-6-11-7-9-12-10-8-11;/h6,12H,2-5,7-10H2,1H3;1H
InChIKeyIMDQVZPHUIBRQW-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.30
Rot. Bonds4

About 4-hexylidenepiperidine;hydrochloride

4-hexylidenepiperidine;hydrochloride (PubChem CID 18963728) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 4-hexylidenepiperidine;hydrochloride.

Molecular Properties

Compound Name4-hexylidenepiperidine;hydrochloride
PubChem CID18963728
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name4-hexylidenepiperidine;hydrochloride
SMILESCCCCCC=C1CCNCC1.Cl
InChIInChI=1S/C11H21N.ClH/c1-2-3-4-5-6-11-7-9-12-10-8-11;/h6,12H,2-5,7-10H2,1H3;1H
InChIKeyIMDQVZPHUIBRQW-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexylidenepiperidine;hydrochloride?
The IUPAC name of 4-hexylidenepiperidine;hydrochloride (CID 18963728) is 4-hexylidenepiperidine;hydrochloride.
What is the SMILES notation for 4-hexylidenepiperidine;hydrochloride?
The canonical SMILES for 4-hexylidenepiperidine;hydrochloride is CCCCCC=C1CCNCC1.Cl.
What is the InChIKey of 4-hexylidenepiperidine;hydrochloride?
The InChIKey is IMDQVZPHUIBRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-2-3-4-5-6-11-7-9-12-10-8-11;/h6,12H,2-5,7-10H2,1H3;1H.
What are the key properties of 4-hexylidenepiperidine;hydrochloride?
4-hexylidenepiperidine;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylidenepiperidine;hydrochloride is sourced from PubChem (CID 18963728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).