2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one

C13H26N2O2 — CID 113357324

IUPAC2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O2/c1-3-7-13(2,14)12(17)15-8-4-5-11(10-15)6-9-16/h11,16H,3-10,14H2,1-2H3
InChIKeyLIQAFIIOLHUHTI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.12
Rot. Bonds5

About 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one

2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one (PubChem CID 113357324) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
PubChem CID113357324
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O2/c1-3-7-13(2,14)12(17)15-8-4-5-11(10-15)6-9-16/h11,16H,3-10,14H2,1-2H3
InChIKeyLIQAFIIOLHUHTI-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 60848400
2-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119671353
2-amino-1-(4-ethylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119794919
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-(4-aminophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 107217079
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one (CID 113357324) is 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is LIQAFIIOLHUHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-13(2,14)12(17)15-8-4-5-11(10-15)6-9-16/h11,16H,3-10,14H2,1-2H3.
What are the key properties of 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one?
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 113357324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).