2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one

C17H34N2O — CID 20750337

IUPAC2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one
SMILESCN1CCCCC1CC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O/c1-16(2,3)15(20)14(18-17(4,5)6)12-13-10-8-9-11-19(13)7/h13-14,18H,8-12H2,1-7H3
InChIKeyVDYODHMZZSGRFX-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.23
Rot. Bonds4

About 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one

2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one (PubChem CID 20750337) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one
PubChem CID20750337
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one
SMILESCN1CCCCC1CC(NC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C17H34N2O/c1-16(2,3)15(20)14(18-17(4,5)6)12-13-10-8-9-11-19(13)7/h13-14,18H,8-12H2,1-7H3
InChIKeyVDYODHMZZSGRFX-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one (CID 20750337) is 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one is CN1CCCCC1CC(NC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one?
The InChIKey is VDYODHMZZSGRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(2,3)15(20)14(18-17(4,5)6)12-13-10-8-9-11-19(13)7/h13-14,18H,8-12H2,1-7H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one?
2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one has a molecular weight of 282.47 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-2-yl)pentan-3-one is sourced from PubChem (CID 20750337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).