2,2-dimethyl-1-piperidin-1-ylhexan-1-one

C13H25NO — CID 139332176

IUPAC2,2-dimethyl-1-piperidin-1-ylhexan-1-one
SMILESCCCCC(C)(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H25NO/c1-4-5-9-13(2,3)12(15)14-10-7-6-8-11-14/h4-11H2,1-3H3
InChIKeyTYXVJLCEZQIVFG-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.22
Rot. Bonds4

About 2,2-dimethyl-1-piperidin-1-ylhexan-1-one

2,2-dimethyl-1-piperidin-1-ylhexan-1-one (PubChem CID 139332176) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-piperidin-1-ylhexan-1-one
PubChem CID139332176
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,2-dimethyl-1-piperidin-1-ylhexan-1-one
SMILESCCCCC(C)(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H25NO/c1-4-5-9-13(2,3)12(15)14-10-7-6-8-11-14/h4-11H2,1-3H3
InChIKeyTYXVJLCEZQIVFG-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 2,2-dimethyl-1-piperidin-1-ylhexan-1-one (CID 139332176) is 2,2-dimethyl-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 2,2-dimethyl-1-piperidin-1-ylhexan-1-one is CCCCC(C)(C)C(=O)N1CCCCC1.
What is the InChIKey of 2,2-dimethyl-1-piperidin-1-ylhexan-1-one?
The InChIKey is TYXVJLCEZQIVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-9-13(2,3)12(15)14-10-7-6-8-11-14/h4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-piperidin-1-ylhexan-1-one?
2,2-dimethyl-1-piperidin-1-ylhexan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 139332176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).