(2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine

C7H15N — CID 146027965

IUPAC(2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine
SMILES[2H][C@@H]([3H])N1CCCC[C@H]1C
InChIInChI=1S/C7H15N/c1-7-5-3-4-6-8(7)2/h7H,3-6H2,1-2H3/t7-/m1/s1/i2TD/t2-,7+/m0
InChIKeyMWUISCCBFHLWLY-UURBTYMBSA-N
MW116.22 g/mol
LogP1.49
Rot. Bonds1

About (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine

(2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine (PubChem CID 146027965) has the molecular formula C7H15N and a molecular weight of 116.22 g/mol. Its IUPAC name is (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine
PubChem CID146027965
Molecular FormulaC7H15N
Molecular Weight116.22 g/mol
Exact Mass116.13
IUPAC Name(2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine
SMILES[2H][C@@H]([3H])N1CCCC[C@H]1C
InChIInChI=1S/C7H15N/c1-7-5-3-4-6-8(7)2/h7H,3-6H2,1-2H3/t7-/m1/s1/i2TD/t2-,7+/m0
InChIKeyMWUISCCBFHLWLY-UURBTYMBSA-N
XLogP1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70834681
1,2-dimethyl-azacyclododecane
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1,2-dimethylpyrrolidine;methanol
CID 158560912
azane;1,2-dimethylpyrrolidine;hydroiodide
CID 173111970
1,2-dimethylpyrrolidine;methyl(oxo)phosphanium
CID 173453320
1,2-dimethylpyrrolidine;2-methylbut-2-ene
CID 174662034
2-methylpiperidin-1-amine
CID 18794277
1,2-dimethylpyrrolidine;methanesulfonic acid
CID 174719075
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
1,4-dimethylpiperazine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;methane;1-methylpiperidine
CID 161233752

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine?
The IUPAC name of (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine (CID 146027965) is (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine.
What is the SMILES notation for (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine?
The canonical SMILES for (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine is [2H][C@@H]([3H])N1CCCC[C@H]1C.
What is the InChIKey of (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine?
The InChIKey is MWUISCCBFHLWLY-UURBTYMBSA-N. The full InChI is InChI=1S/C7H15N/c1-7-5-3-4-6-8(7)2/h7H,3-6H2,1-2H3/t7-/m1/s1/i2TD/t2-,7+/m0.
What are the key properties of (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine?
(2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine has a molecular weight of 116.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(S)-deuterio(tritio)methyl]-2-methylpiperidine is sourced from PubChem (CID 146027965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).