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

C12H24N2O2 — CID 60848400

IUPAC2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-6-12(2,13)11(16)14-7-4-5-10(8-14)9-15/h10,15H,3-9,13H2,1-2H3
InChIKeyDPRRTGSGCFDKRJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds4

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

2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one (PubChem CID 60848400) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
PubChem CID60848400
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O2/c1-3-6-12(2,13)11(16)14-7-4-5-10(8-14)9-15/h10,15H,3-9,13H2,1-2H3
InChIKeyDPRRTGSGCFDKRJ-UHFFFAOYSA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one 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-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 113357324
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-amino-2-methyl-1-(3-propylpyrrolidin-1-yl)pentan-1-one
CID 115739383
3-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 64683995
2-amino-1-(4-tert-butylazepan-1-yl)-2-methylpentan-1-one;hydrochloride
CID 119787781
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
2-amino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119710551
2-amino-1-(3,4-dimethylpiperazin-1-yl)-2-methylpentan-1-one
CID 63634380
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-[1-(2-amino-2-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64604208
1-(2-amino-2-methylpentanoyl)-N-butylpiperidine-3-carboxamide;hydrochloride
CID 119762881

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one (CID 60848400) is 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one is CCCC(C)(N)C(=O)N1CCCC(CO)C1.
What is the InChIKey of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
The InChIKey is DPRRTGSGCFDKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-6-12(2,13)11(16)14-7-4-5-10(8-14)9-15/h10,15H,3-9,13H2,1-2H3.
What are the key properties of 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one?
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one has a molecular weight of 228.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one is sourced from PubChem (CID 60848400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).