5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one

C15H30N2O — CID 113441000

IUPAC5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCCC1(CC)CCN(C(=O)C(C)CCCN)CC1
InChIInChI=1S/C15H30N2O/c1-4-15(5-2)8-11-17(12-9-15)14(18)13(3)7-6-10-16/h13H,4-12,16H2,1-3H3
InChIKeyMJXFTHMPWJHWLJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.79
Rot. Bonds6

About 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one

5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one (PubChem CID 113441000) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
PubChem CID113441000
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
SMILESCCC1(CC)CCN(C(=O)C(C)CCCN)CC1
InChIInChI=1S/C15H30N2O/c1-4-15(5-2)8-11-17(12-9-15)14(18)13(3)7-6-10-16/h13H,4-12,16H2,1-3H3
InChIKeyMJXFTHMPWJHWLJ-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
5-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpentan-1-one
CID 104683713
1-(4,4-diethylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202240
4-(5-amino-2-methylpentanoyl)piperazine-1-sulfonamide
CID 113440928
5-amino-2-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 104684861
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
5-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-2-methylpentan-1-one
CID 104684531
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391
1-[4-(aminomethyl)-4-methylpiperidin-1-yl]-2-methylpentan-1-one
CID 107159961
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
5-amino-1-(2,2-dimethylmorpholin-4-yl)-2-methylpentan-1-one
CID 104683727
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one (CID 113441000) is 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one is CCC1(CC)CCN(C(=O)C(C)CCCN)CC1.
What is the InChIKey of 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one?
The InChIKey is MJXFTHMPWJHWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-15(5-2)8-11-17(12-9-15)14(18)13(3)7-6-10-16/h13H,4-12,16H2,1-3H3.
What are the key properties of 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one?
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one is sourced from PubChem (CID 113441000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).