2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one

C12H20N4O — CID 122506897

IUPAC2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
SMILESCC(C)(Cn1ccnn1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N4O/c1-12(2,10-16-9-6-13-14-16)11(17)15-7-4-3-5-8-15/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyHRVJJIGRFHPXLG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.32
Rot. Bonds3

About 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one

2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one (PubChem CID 122506897) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
PubChem CID122506897
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one
SMILESCC(C)(Cn1ccnn1)C(=O)N1CCCCC1
InChIInChI=1S/C12H20N4O/c1-12(2,10-16-9-6-13-14-16)11(17)15-7-4-3-5-8-15/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyHRVJJIGRFHPXLG-UHFFFAOYSA-N
XLogP1.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one (CID 122506897) is 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one is CC(C)(Cn1ccnn1)C(=O)N1CCCCC1.
What is the InChIKey of 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
The InChIKey is HRVJJIGRFHPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,10-16-9-6-13-14-16)11(17)15-7-4-3-5-8-15/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one?
2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one has a molecular weight of 236.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-piperidin-1-yl-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 122506897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).