5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one

C22H43NO — CID 177062061

IUPAC5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one
SMILESCC(C)CC(C)(C)C1CCN(C(C)(C)C(C)(C)C(=O)C(C)C)CC1
InChIInChI=1S/C22H43NO/c1-16(2)15-20(5,6)18-11-13-23(14-12-18)22(9,10)21(7,8)19(24)17(3)4/h16-18H,11-15H2,1-10H3
InChIKeyOURYDSYDQVNFTI-UHFFFAOYSA-N
MW337.59 g/mol
LogP5.80
Rot. Bonds7

About 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one

5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one (PubChem CID 177062061) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one.

Molecular Properties

Compound Name5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one
PubChem CID177062061
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one
SMILESCC(C)CC(C)(C)C1CCN(C(C)(C)C(C)(C)C(=O)C(C)C)CC1
InChIInChI=1S/C22H43NO/c1-16(2)15-20(5,6)18-11-13-23(14-12-18)22(9,10)21(7,8)19(24)17(3)4/h16-18H,11-15H2,1-10H3
InChIKeyOURYDSYDQVNFTI-UHFFFAOYSA-N
XLogP5.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one?
The IUPAC name of 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one (CID 177062061) is 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one.
What is the SMILES notation for 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one?
The canonical SMILES for 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one is CC(C)CC(C)(C)C1CCN(C(C)(C)C(C)(C)C(=O)C(C)C)CC1.
What is the InChIKey of 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one?
The InChIKey is OURYDSYDQVNFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-16(2)15-20(5,6)18-11-13-23(14-12-18)22(9,10)21(7,8)19(24)17(3)4/h16-18H,11-15H2,1-10H3.
What are the key properties of 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one?
5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one has a molecular weight of 337.59 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one is sourced from PubChem (CID 177062061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).