4-tert-butyl-1-(trideuteriomethyl)piperidine

C10H21N — CID 176754624

IUPAC4-tert-butyl-1-(trideuteriomethyl)piperidine
SMILES[2H]C([2H])([2H])N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/i4D3
InChIKeyOAQVMNQONZQCLR-GKOSEXJESA-N
MW158.30 g/mol
LogP2.37
Rot. Bonds1

About 4-tert-butyl-1-(trideuteriomethyl)piperidine

4-tert-butyl-1-(trideuteriomethyl)piperidine (PubChem CID 176754624) has the molecular formula C10H21N and a molecular weight of 158.30 g/mol. Its IUPAC name is 4-tert-butyl-1-(trideuteriomethyl)piperidine.

Molecular Properties

Compound Name4-tert-butyl-1-(trideuteriomethyl)piperidine
PubChem CID176754624
Molecular FormulaC10H21N
Molecular Weight158.30 g/mol
Exact Mass158.19
IUPAC Name4-tert-butyl-1-(trideuteriomethyl)piperidine
SMILES[2H]C([2H])([2H])N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C10H21N/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/i4D3
InChIKeyOAQVMNQONZQCLR-GKOSEXJESA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(trideuteriomethyl)piperidine?
The IUPAC name of 4-tert-butyl-1-(trideuteriomethyl)piperidine (CID 176754624) is 4-tert-butyl-1-(trideuteriomethyl)piperidine.
What is the SMILES notation for 4-tert-butyl-1-(trideuteriomethyl)piperidine?
The canonical SMILES for 4-tert-butyl-1-(trideuteriomethyl)piperidine is [2H]C([2H])([2H])N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(trideuteriomethyl)piperidine?
The InChIKey is OAQVMNQONZQCLR-GKOSEXJESA-N. The full InChI is InChI=1S/C10H21N/c1-10(2,3)9-5-7-11(4)8-6-9/h9H,5-8H2,1-4H3/i4D3.
What are the key properties of 4-tert-butyl-1-(trideuteriomethyl)piperidine?
4-tert-butyl-1-(trideuteriomethyl)piperidine has a molecular weight of 158.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(trideuteriomethyl)piperidine is sourced from PubChem (CID 176754624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).