1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one

C20H38N2O — CID 168727141

IUPAC1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O/c1-19(2,3)18(23)17-9-11-21(12-10-17)15-16-7-13-22(14-8-16)20(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyUNJFTVGUPYAEBZ-UHFFFAOYSA-N
MW322.54 g/mol
LogP3.82
Rot. Bonds3

About 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one

1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 168727141) has the molecular formula C20H38N2O and a molecular weight of 322.54 g/mol. Its IUPAC name is 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
PubChem CID168727141
Molecular FormulaC20H38N2O
Molecular Weight322.54 g/mol
Exact Mass322.30
IUPAC Name1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C20H38N2O/c1-19(2,3)18(23)17-9-11-21(12-10-17)15-16-7-13-22(14-8-16)20(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyUNJFTVGUPYAEBZ-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
2-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 118531626
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
2-(1-tert-butylpiperidin-4-yl)-N-[3-(2,2-dimethylpropanoyl)cyclohexyl]acetamide
CID 170668408
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 171445163
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217
4-tert-butyl-1-[[(3S)-1-tert-butylpyrrolidin-3-yl]methyl]piperidine
CID 156551026
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
1-[1-(1-tert-butylpiperidine-4-carbonyl)piperidin-4-yl]-3,3-dimethylbutan-2-one
CID 170668413
4-[(4-tert-butylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 61430663
1-tert-butyl-4-[1-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]piperidin-4-yl]piperazine
CID 168727139

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one (CID 168727141) is 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCN(CC2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is UNJFTVGUPYAEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O/c1-19(2,3)18(23)17-9-11-21(12-10-17)15-16-7-13-22(14-8-16)20(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one?
1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 322.54 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 168727141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).