1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one

C17H34N2O — CID 121340865

IUPAC1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one
SMILESCC[15NH]C(C)(C)C(=O)C(C)(C)CN1C(C)CCCC1C
InChIInChI=1S/C17H34N2O/c1-8-18-17(6,7)15(20)16(4,5)12-19-13(2)10-9-11-14(19)3/h13-14,18H,8-12H2,1-7H3/i18+1
InChIKeyWZFNKMRRUWOPDB-CPZJZEHKSA-N
MW283.47 g/mol
LogP3.23
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one

1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one (PubChem CID 121340865) has the molecular formula C17H34N2O and a molecular weight of 283.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one
PubChem CID121340865
Molecular FormulaC17H34N2O
Molecular Weight283.47 g/mol
Exact Mass283.26
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one
SMILESCC[15NH]C(C)(C)C(=O)C(C)(C)CN1C(C)CCCC1C
InChIInChI=1S/C17H34N2O/c1-8-18-17(6,7)15(20)16(4,5)12-19-13(2)10-9-11-14(19)3/h13-14,18H,8-12H2,1-7H3/i18+1
InChIKeyWZFNKMRRUWOPDB-CPZJZEHKSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one (CID 121340865) is 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one is CC[15NH]C(C)(C)C(=O)C(C)(C)CN1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one?
The InChIKey is WZFNKMRRUWOPDB-CPZJZEHKSA-N. The full InChI is InChI=1S/C17H34N2O/c1-8-18-17(6,7)15(20)16(4,5)12-19-13(2)10-9-11-14(19)3/h13-14,18H,8-12H2,1-7H3/i18+1.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one?
1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one has a molecular weight of 283.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one is sourced from PubChem (CID 121340865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).