(3S,5S)-3,5-dimethylpiperidin-1-ium

C7H16N+ — CID 7058086

IUPAC(3S,5S)-3,5-dimethylpiperidin-1-ium
SMILESC[C@@H]1C[NH2+]C[C@@H](C)C1
InChIInChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1
InChIKeyIDWRJRPUIXRFRX-BQBZGAKWSA-O
MW114.21 g/mol
LogP0.23
Rot. Bonds

About (3S,5S)-3,5-dimethylpiperidin-1-ium

(3S,5S)-3,5-dimethylpiperidin-1-ium (PubChem CID 7058086) has the molecular formula C7H16N+ and a molecular weight of 114.21 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethylpiperidin-1-ium.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethylpiperidin-1-ium
PubChem CID7058086
Molecular FormulaC7H16N+
Molecular Weight114.21 g/mol
Exact Mass114.13
IUPAC Name(3S,5S)-3,5-dimethylpiperidin-1-ium
SMILESC[C@@H]1C[NH2+]C[C@@H](C)C1
InChIInChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1
InChIKeyIDWRJRPUIXRFRX-BQBZGAKWSA-O
XLogP0.23
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethylpiperidin-1-ium?
The IUPAC name of (3S,5S)-3,5-dimethylpiperidin-1-ium (CID 7058086) is (3S,5S)-3,5-dimethylpiperidin-1-ium.
What is the SMILES notation for (3S,5S)-3,5-dimethylpiperidin-1-ium?
The canonical SMILES for (3S,5S)-3,5-dimethylpiperidin-1-ium is C[C@@H]1C[NH2+]C[C@@H](C)C1.
What is the InChIKey of (3S,5S)-3,5-dimethylpiperidin-1-ium?
The InChIKey is IDWRJRPUIXRFRX-BQBZGAKWSA-O. The full InChI is InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3/p+1/t6-,7-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethylpiperidin-1-ium?
(3S,5S)-3,5-dimethylpiperidin-1-ium has a molecular weight of 114.21 g/mol, XLogP of 0.23, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethylpiperidin-1-ium is sourced from PubChem (CID 7058086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).