2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one

C19H38N2O — CID 20750257

IUPAC2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
SMILESCCC1(C)CCN(CC(NC(C)(C)C)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H38N2O/c1-9-19(8)10-12-21(13-11-19)14-15(20-18(5,6)7)16(22)17(2,3)4/h15,20H,9-14H2,1-8H3
InChIKeyOFYCZLMXCMYYOS-UHFFFAOYSA-N
MW310.53 g/mol
LogP3.87
Rot. Bonds5

About 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one

2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one (PubChem CID 20750257) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
PubChem CID20750257
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one
SMILESCCC1(C)CCN(CC(NC(C)(C)C)C(=O)C(C)(C)C)CC1
InChIInChI=1S/C19H38N2O/c1-9-19(8)10-12-21(13-11-19)14-15(20-18(5,6)7)16(22)17(2,3)4/h15,20H,9-14H2,1-8H3
InChIKeyOFYCZLMXCMYYOS-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one (CID 20750257) is 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one is CCC1(C)CCN(CC(NC(C)(C)C)C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
The InChIKey is OFYCZLMXCMYYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-9-19(8)10-12-21(13-11-19)14-15(20-18(5,6)7)16(22)17(2,3)4/h15,20H,9-14H2,1-8H3.
What are the key properties of 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one?
2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one has a molecular weight of 310.53 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 20750257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).