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

C14H28N2O — CID 82852140

IUPAC5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
SMILESCCC1(C)CCN(C(=O)CCCC(C)N)CC1
InChIInChI=1S/C14H28N2O/c1-4-14(3)8-10-16(11-9-14)13(17)7-5-6-12(2)15/h12H,4-11,15H2,1-3H3
InChIKeyKJOGFCHVDCNBGD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.54
Rot. Bonds5

About 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one

5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one (PubChem CID 82852140) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
PubChem CID82852140
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
SMILESCCC1(C)CCN(C(=O)CCCC(C)N)CC1
InChIInChI=1S/C14H28N2O/c1-4-14(3)8-10-16(11-9-14)13(17)7-5-6-12(2)15/h12H,4-11,15H2,1-3H3
InChIKeyKJOGFCHVDCNBGD-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

5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
5-amino-1-(3,3,4-trimethylpiperazin-1-yl)hexan-1-one
CID 82851488
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
5-amino-1-(3,6-dihydro-2H-pyridin-1-yl)hexan-1-one
CID 114409070
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-4-ethoxybutan-1-one
CID 107160140
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65291232
5-amino-1-[3-(trifluoromethyl)pyrrolidin-1-yl]hexan-1-one
CID 114271824

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one (CID 82852140) is 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one is CCC1(C)CCN(C(=O)CCCC(C)N)CC1.
What is the InChIKey of 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
The InChIKey is KJOGFCHVDCNBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-14(3)8-10-16(11-9-14)13(17)7-5-6-12(2)15/h12H,4-11,15H2,1-3H3.
What are the key properties of 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one?
5-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 5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 82852140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).