3-hexylpiperidine;hydrochloride

C11H24ClN — CID 69042465

IUPAC3-hexylpiperidine;hydrochloride
SMILESCCCCCCC1CCCNC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-2-3-4-5-7-11-8-6-9-12-10-11;/h11-12H,2-10H2,1H3;1H
InChIKeyPDDAPJUJOMYOEH-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.38
Rot. Bonds5

About 3-hexylpiperidine;hydrochloride

3-hexylpiperidine;hydrochloride (PubChem CID 69042465) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 3-hexylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-hexylpiperidine;hydrochloride
PubChem CID69042465
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name3-hexylpiperidine;hydrochloride
SMILESCCCCCCC1CCCNC1.Cl
InChIInChI=1S/C11H23N.ClH/c1-2-3-4-5-7-11-8-6-9-12-10-11;/h11-12H,2-10H2,1H3;1H
InChIKeyPDDAPJUJOMYOEH-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 3-hexylpiperidine;hydrochloride?
The IUPAC name of 3-hexylpiperidine;hydrochloride (CID 69042465) is 3-hexylpiperidine;hydrochloride.
What is the SMILES notation for 3-hexylpiperidine;hydrochloride?
The canonical SMILES for 3-hexylpiperidine;hydrochloride is CCCCCCC1CCCNC1.Cl.
What is the InChIKey of 3-hexylpiperidine;hydrochloride?
The InChIKey is PDDAPJUJOMYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-2-3-4-5-7-11-8-6-9-12-10-11;/h11-12H,2-10H2,1H3;1H.
What are the key properties of 3-hexylpiperidine;hydrochloride?
3-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 3-hexylpiperidine;hydrochloride is sourced from PubChem (CID 69042465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).