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

C17H34N2O — CID 20825452

IUPAC2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one
SMILESCN1CCCC(CC(NC(C)(C)C)C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H34N2O/c1-16(2,3)15(20)14(18-17(4,5)6)11-13-9-8-10-19(7)12-13/h13-14,18H,8-12H2,1-7H3
InChIKeyUGFZZKFWMTXADM-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.09
Rot. Bonds4

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

2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one (PubChem CID 20825452) 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-3-yl)pentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one
PubChem CID20825452
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one
SMILESCN1CCCC(CC(NC(C)(C)C)C(=O)C(C)(C)C)C1
InChIInChI=1S/C17H34N2O/c1-16(2,3)15(20)14(18-17(4,5)6)11-13-9-8-10-19(7)12-13/h13-14,18H,8-12H2,1-7H3
InChIKeyUGFZZKFWMTXADM-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-3-yl)pentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one (CID 20825452) is 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one is CN1CCCC(CC(NC(C)(C)C)C(=O)C(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one?
The InChIKey is UGFZZKFWMTXADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-16(2,3)15(20)14(18-17(4,5)6)11-13-9-8-10-19(7)12-13/h13-14,18H,8-12H2,1-7H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one?
2-(tert-butylamino)-4,4-dimethyl-1-(1-methylpiperidin-3-yl)pentan-3-one has a molecular weight of 282.47 g/mol, XLogP of 3.09, 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-3-yl)pentan-3-one is sourced from PubChem (CID 20825452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).