4,4-dimethylpiperidin-1-ium chloride

C7H16ClN — CID 3016001

IUPAC4,4-dimethylpiperidin-1-ium chloride
SMILESCC1(C)CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H
InChIKeyHQQCRVHZMQHQOA-UHFFFAOYSA-N
MW149.66 g/mol
LogP-2.63
Rot. Bonds

About 4,4-dimethylpiperidin-1-ium chloride

4,4-dimethylpiperidin-1-ium chloride (PubChem CID 3016001) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is 4,4-dimethylpiperidin-1-ium chloride.

Molecular Properties

Compound Name4,4-dimethylpiperidin-1-ium chloride
PubChem CID3016001
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name4,4-dimethylpiperidin-1-ium chloride
SMILESCC1(C)CC[NH2+]CC1.[Cl-]
InChIInChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H
InChIKeyHQQCRVHZMQHQOA-UHFFFAOYSA-N
XLogP-2.63
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpiperidin-1-ium chloride?
The IUPAC name of 4,4-dimethylpiperidin-1-ium chloride (CID 3016001) is 4,4-dimethylpiperidin-1-ium chloride.
What is the SMILES notation for 4,4-dimethylpiperidin-1-ium chloride?
The canonical SMILES for 4,4-dimethylpiperidin-1-ium chloride is CC1(C)CC[NH2+]CC1.[Cl-].
What is the InChIKey of 4,4-dimethylpiperidin-1-ium chloride?
The InChIKey is HQQCRVHZMQHQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-7(2)3-5-8-6-4-7;/h8H,3-6H2,1-2H3;1H.
What are the key properties of 4,4-dimethylpiperidin-1-ium chloride?
4,4-dimethylpiperidin-1-ium chloride has a molecular weight of 149.66 g/mol, XLogP of -2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpiperidin-1-ium chloride is sourced from PubChem (CID 3016001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).