3,3-dimethylpiperidine;hydrochloride

C7H16ClN — CID 18686627

IUPAC3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCNC1.Cl
InChIInChI=1S/C7H15N.ClH/c1-7(2)4-3-5-8-6-7;/h8H,3-6H2,1-2H3;1H
InChIKeyBXFKQBZPFQBCCO-UHFFFAOYSA-N
MW149.67 g/mol
LogP1.82
Rot. Bonds

About 3,3-dimethylpiperidine;hydrochloride

3,3-dimethylpiperidine;hydrochloride (PubChem CID 18686627) has the molecular formula C7H16ClN and a molecular weight of 149.67 g/mol. Its IUPAC name is 3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethylpiperidine;hydrochloride
PubChem CID18686627
Molecular FormulaC7H16ClN
Molecular Weight149.67 g/mol
Exact Mass149.10
IUPAC Name3,3-dimethylpiperidine;hydrochloride
SMILESCC1(C)CCCNC1.Cl
InChIInChI=1S/C7H15N.ClH/c1-7(2)4-3-5-8-6-7;/h8H,3-6H2,1-2H3;1H
InChIKeyBXFKQBZPFQBCCO-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 3,3-dimethylpiperidine;hydrochloride (CID 18686627) is 3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 3,3-dimethylpiperidine;hydrochloride is CC1(C)CCCNC1.Cl.
What is the InChIKey of 3,3-dimethylpiperidine;hydrochloride?
The InChIKey is BXFKQBZPFQBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-7(2)4-3-5-8-6-7;/h8H,3-6H2,1-2H3;1H.
What are the key properties of 3,3-dimethylpiperidine;hydrochloride?
3,3-dimethylpiperidine;hydrochloride has a molecular weight of 149.67 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 18686627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).