2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone

C12H24N2O — CID 78987116

IUPAC2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10-7-5-6-8-14(10)11(15)9-13-12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyKKSKXEWQTGKRNJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds2

About 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone

2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 78987116) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID78987116
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C12H24N2O/c1-10-7-5-6-8-14(10)11(15)9-13-12(2,3)4/h10,13H,5-9H2,1-4H3
InChIKeyKKSKXEWQTGKRNJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78914825
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
4-amino-3,3-dimethyl-1-[(2S)-2-methylpiperidin-1-yl]butan-1-one
CID 145040283
3-methyl-2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]butanoic acid
CID 43468436
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
methyl 3,3-dimethyl-5-(2-methylazepan-1-yl)-5-oxopentanoate
CID 75483232

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone (CID 78987116) is 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is KKSKXEWQTGKRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-7-5-6-8-14(10)11(15)9-13-12(2,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone?
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 78987116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).