2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine

C13H27N — CID 20707875

IUPAC2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine
SMILESCC1CCCC(C(C)C(C)(C)C)N1C
InChIInChI=1S/C13H27N/c1-10-8-7-9-12(14(10)6)11(2)13(3,4)5/h10-12H,7-9H2,1-6H3
InChIKeyBFENMOHPDZXFFO-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.54
Rot. Bonds1

About 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine

2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine (PubChem CID 20707875) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine
PubChem CID20707875
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine
SMILESCC1CCCC(C(C)C(C)(C)C)N1C
InChIInChI=1S/C13H27N/c1-10-8-7-9-12(14(10)6)11(2)13(3,4)5/h10-12H,7-9H2,1-6H3
InChIKeyBFENMOHPDZXFFO-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 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine?
The IUPAC name of 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine (CID 20707875) is 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine?
The canonical SMILES for 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine is CC1CCCC(C(C)C(C)(C)C)N1C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine?
The InChIKey is BFENMOHPDZXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10-8-7-9-12(14(10)6)11(2)13(3,4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine?
2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine 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 2-(3,3-dimethylbutan-2-yl)-1,6-dimethylpiperidine is sourced from PubChem (CID 20707875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).