2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one

C14H28N2O — CID 63163139

IUPAC2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C14H28N2O/c1-4-6-7-12(15)13(17)16-10-8-14(3,5-2)9-11-16/h12H,4-11,15H2,1-3H3
InChIKeyBCYAZJNGWUGWHN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds5

About 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one (PubChem CID 63163139) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
PubChem CID63163139
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C14H28N2O/c1-4-6-7-12(15)13(17)16-10-8-14(3,5-2)9-11-16/h12H,4-11,15H2,1-3H3
InChIKeyBCYAZJNGWUGWHN-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 81088783
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
(2S)-2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]hexan-1-one
CID 93339973
(2S)-2-amino-1-(4-methyl-1,4-diazepan-1-yl)hexan-1-one
CID 93315574
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
(2S)-2-amino-1-[4-(3-methylbutanoyl)piperazin-1-yl]hexan-1-one
CID 103831201
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one (CID 63163139) is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CCC(C)(CC)CC1.
What is the InChIKey of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
The InChIKey is BCYAZJNGWUGWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-7-12(15)13(17)16-10-8-14(3,5-2)9-11-16/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 63163139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).