2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride

C12H25ClN2O — CID 119261722

IUPAC2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCC1CC.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-7-11(13)12(15)14-9-6-5-8-10(14)4-2;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyAYMCYJZCZVCNDT-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.33
Rot. Bonds4

About 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride

2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride (PubChem CID 119261722) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
PubChem CID119261722
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCC1CC.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-3-7-11(13)12(15)14-9-6-5-8-10(14)4-2;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyAYMCYJZCZVCNDT-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
CID 119313331
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119326462
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
2-(2-ethylazepane-1-carbonyl)pentanenitrile
CID 104689799

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride (CID 119261722) is 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCCCC1CC.Cl.
What is the InChIKey of 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is AYMCYJZCZVCNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-3-7-11(13)12(15)14-9-6-5-8-10(14)4-2;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride?
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119261722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).