3-methyl-4-tritiopiperidine

C6H13N — CID 59952974

IUPAC3-methyl-4-tritiopiperidine
SMILES[3H]C1CCNCC1C
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/i3T
InChIKeyJEGMWWXJUXDNJN-WJULDGBESA-N
MW101.19 g/mol
LogP1.01
Rot. Bonds

About 3-methyl-4-tritiopiperidine

3-methyl-4-tritiopiperidine (PubChem CID 59952974) has the molecular formula C6H13N and a molecular weight of 101.19 g/mol. Its IUPAC name is 3-methyl-4-tritiopiperidine.

Molecular Properties

Compound Name3-methyl-4-tritiopiperidine
PubChem CID59952974
Molecular FormulaC6H13N
Molecular Weight101.19 g/mol
Exact Mass101.11
IUPAC Name3-methyl-4-tritiopiperidine
SMILES[3H]C1CCNCC1C
InChIInChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/i3T
InChIKeyJEGMWWXJUXDNJN-WJULDGBESA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-tritiopiperidine?
The IUPAC name of 3-methyl-4-tritiopiperidine (CID 59952974) is 3-methyl-4-tritiopiperidine.
What is the SMILES notation for 3-methyl-4-tritiopiperidine?
The canonical SMILES for 3-methyl-4-tritiopiperidine is [3H]C1CCNCC1C.
What is the InChIKey of 3-methyl-4-tritiopiperidine?
The InChIKey is JEGMWWXJUXDNJN-WJULDGBESA-N. The full InChI is InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/i3T.
What are the key properties of 3-methyl-4-tritiopiperidine?
3-methyl-4-tritiopiperidine has a molecular weight of 101.19 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-tritiopiperidine is sourced from PubChem (CID 59952974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).