2,5,5-trimethylpiperidine;hydrochloride

C8H18ClN — CID 86036787

IUPAC2,5,5-trimethylpiperidine;hydrochloride
SMILESCC1CCC(C)(C)CN1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7-4-5-8(2,3)6-9-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyZUNRXHGENXENLM-UHFFFAOYSA-N
MW163.69 g/mol
LogP2.21
Rot. Bonds

About 2,5,5-trimethylpiperidine;hydrochloride

2,5,5-trimethylpiperidine;hydrochloride (PubChem CID 86036787) has the molecular formula C8H18ClN and a molecular weight of 163.69 g/mol. Its IUPAC name is 2,5,5-trimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name2,5,5-trimethylpiperidine;hydrochloride
PubChem CID86036787
Molecular FormulaC8H18ClN
Molecular Weight163.69 g/mol
Exact Mass163.11
IUPAC Name2,5,5-trimethylpiperidine;hydrochloride
SMILESCC1CCC(C)(C)CN1.Cl
InChIInChI=1S/C8H17N.ClH/c1-7-4-5-8(2,3)6-9-7;/h7,9H,4-6H2,1-3H3;1H
InChIKeyZUNRXHGENXENLM-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylpiperidine;hydrochloride?
The IUPAC name of 2,5,5-trimethylpiperidine;hydrochloride (CID 86036787) is 2,5,5-trimethylpiperidine;hydrochloride.
What is the SMILES notation for 2,5,5-trimethylpiperidine;hydrochloride?
The canonical SMILES for 2,5,5-trimethylpiperidine;hydrochloride is CC1CCC(C)(C)CN1.Cl.
What is the InChIKey of 2,5,5-trimethylpiperidine;hydrochloride?
The InChIKey is ZUNRXHGENXENLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.ClH/c1-7-4-5-8(2,3)6-9-7;/h7,9H,4-6H2,1-3H3;1H.
What are the key properties of 2,5,5-trimethylpiperidine;hydrochloride?
2,5,5-trimethylpiperidine;hydrochloride has a molecular weight of 163.69 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylpiperidine;hydrochloride is sourced from PubChem (CID 86036787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).