2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one

C16H32N2O — CID 20750341

IUPAC2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one
SMILESCC(C)(C)NC(CN1CCCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-15(2,3)14(19)13(17-16(4,5)6)12-18-10-8-7-9-11-18/h13,17H,7-12H2,1-6H3
InChIKeyKFXYKXYOIPKVEW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.84
Rot. Bonds4

About 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one

2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one (PubChem CID 20750341) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one.

Molecular Properties

Compound Name2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one
PubChem CID20750341
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one
SMILESCC(C)(C)NC(CN1CCCCC1)C(=O)C(C)(C)C
InChIInChI=1S/C16H32N2O/c1-15(2,3)14(19)13(17-16(4,5)6)12-18-10-8-7-9-11-18/h13,17H,7-12H2,1-6H3
InChIKeyKFXYKXYOIPKVEW-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.84
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-piperidin-1-ylpentan-3-one?
The IUPAC name of 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one (CID 20750341) is 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one.
What is the SMILES notation for 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one?
The canonical SMILES for 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one is CC(C)(C)NC(CN1CCCCC1)C(=O)C(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one?
The InChIKey is KFXYKXYOIPKVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)14(19)13(17-16(4,5)6)12-18-10-8-7-9-11-18/h13,17H,7-12H2,1-6H3.
What are the key properties of 2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one?
2-(tert-butylamino)-4,4-dimethyl-1-piperidin-1-ylpentan-3-one has a molecular weight of 268.44 g/mol, XLogP of 2.84, 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-piperidin-1-ylpentan-3-one is sourced from PubChem (CID 20750341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).