6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one

C16H32N2O — CID 65291232

IUPAC6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
SMILESCCC1(C)CCN(C(=O)CCC(C)(C)CCN)CC1
InChIInChI=1S/C16H32N2O/c1-5-16(4)9-12-18(13-10-16)14(19)6-7-15(2,3)8-11-17/h5-13,17H2,1-4H3
InChIKeyMQLDNMCFNWCSKP-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.18
Rot. Bonds6

About 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one

6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one (PubChem CID 65291232) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
PubChem CID65291232
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one
SMILESCCC1(C)CCN(C(=O)CCC(C)(C)CCN)CC1
InChIInChI=1S/C16H32N2O/c1-5-16(4)9-12-18(13-10-16)14(19)6-7-15(2,3)8-11-17/h5-13,17H2,1-4H3
InChIKeyMQLDNMCFNWCSKP-UHFFFAOYSA-N
XLogP3.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-amino-4,4-dimethylhexanoyl)-N-ethylpiperazine-1-carboxamide
CID 65290869
6-amino-1-(4-hydroxypiperidin-1-yl)-4,4-dimethylhexan-1-one
CID 65293101
ethyl 4-(4-ethyl-4-methylpiperidin-1-yl)-4-oxobutanoate
CID 62614238
6-amino-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-4,4-dimethylhexan-1-one
CID 65291006
6-amino-4,4-dimethyl-1-(1,4-oxazepan-4-yl)hexan-1-one
CID 65291131
6-(4-ethyl-4-methylpiperidin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295886
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
5-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 82852140
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
2-(aminomethyl)-1-(4-ethyl-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290679
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
N-(2-aminoethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoacetamide
CID 55164482

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one?
The IUPAC name of 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one (CID 65291232) is 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one.
What is the SMILES notation for 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one?
The canonical SMILES for 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one is CCC1(C)CCN(C(=O)CCC(C)(C)CCN)CC1.
What is the InChIKey of 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one?
The InChIKey is MQLDNMCFNWCSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-16(4)9-12-18(13-10-16)14(19)6-7-15(2,3)8-11-17/h5-13,17H2,1-4H3.
What are the key properties of 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one?
6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one has a molecular weight of 268.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-4,4-dimethylhexan-1-one is sourced from PubChem (CID 65291232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).