4-hexylpiperidine;hydrochloride

C11H24ClN — CID 86262818

IUPAC4-hexylpiperidine;hydrochloride
SMILESCCCCCCC1CCNCC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-2-3-4-5-6-11-7-9-12-10-8-11;/h11-12H,2-10H2,1H3;1H
InChIKeyMWOKKOXGCJHJDR-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.38
Rot. Bonds5

About 4-hexylpiperidine;hydrochloride

4-hexylpiperidine;hydrochloride (PubChem CID 86262818) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 4-hexylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-hexylpiperidine;hydrochloride
PubChem CID86262818
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name4-hexylpiperidine;hydrochloride
SMILESCCCCCCC1CCNCC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-2-3-4-5-6-11-7-9-12-10-8-11;/h11-12H,2-10H2,1H3;1H
InChIKeyMWOKKOXGCJHJDR-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexylpiperidine;hydrochloride?
The IUPAC name of 4-hexylpiperidine;hydrochloride (CID 86262818) is 4-hexylpiperidine;hydrochloride.
What is the SMILES notation for 4-hexylpiperidine;hydrochloride?
The canonical SMILES for 4-hexylpiperidine;hydrochloride is CCCCCCC1CCNCC1.Cl.
What is the InChIKey of 4-hexylpiperidine;hydrochloride?
The InChIKey is MWOKKOXGCJHJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-2-3-4-5-6-11-7-9-12-10-8-11;/h11-12H,2-10H2,1H3;1H.
What are the key properties of 4-hexylpiperidine;hydrochloride?
4-hexylpiperidine;hydrochloride has a molecular weight of 205.77 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexylpiperidine;hydrochloride is sourced from PubChem (CID 86262818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).