3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine

C13H27N — CID 58374215

IUPAC3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC1CCCN(C(C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-11-8-7-9-14(10-11)13(5,6)12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyXKHJKPLYRVBISF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds1

About 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine

3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine (PubChem CID 58374215) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine.

Molecular Properties

Compound Name3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
PubChem CID58374215
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine
SMILESCC1CCCN(C(C)(C)C(C)(C)C)C1
InChIInChI=1S/C13H27N/c1-11-8-7-9-14(10-11)13(5,6)12(2,3)4/h11H,7-10H2,1-6H3
InChIKeyXKHJKPLYRVBISF-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
The IUPAC name of 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine (CID 58374215) is 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine.
What is the SMILES notation for 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
The canonical SMILES for 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine is CC1CCCN(C(C)(C)C(C)(C)C)C1.
What is the InChIKey of 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
The InChIKey is XKHJKPLYRVBISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11-8-7-9-14(10-11)13(5,6)12(2,3)4/h11H,7-10H2,1-6H3.
What are the key properties of 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine?
3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,3,3-trimethylbutan-2-yl)piperidine is sourced from PubChem (CID 58374215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).