1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride

C12H25ClN2O — CID 119466546

IUPAC1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
SMILESCC(C)C(C)C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)10(3)12(15)14-7-5-4-6-11(14)8-13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeySTEGSPAFEOFDSO-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride

1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride (PubChem CID 119466546) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
PubChem CID119466546
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride
SMILESCC(C)C(C)C(=O)N1CCCCC1CN.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)10(3)12(15)14-7-5-4-6-11(14)8-13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeySTEGSPAFEOFDSO-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-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

1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[2-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119466300
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylsulfanylpropan-1-one;hydrochloride
CID 119631035
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cyclopropylpropan-1-one
CID 81482767
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
(2R)-2-amino-1-[2-(hydroxymethyl)azepan-1-yl]-3-methylbutan-1-one
CID 104891495
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
2-[1-[(2S)-2-aminopropanoyl]piperidin-2-yl]acetamide;hydrochloride
CID 119307888
1-[2-(aminomethyl)piperidin-1-yl]-3-ethylpentan-1-one
CID 119467538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride?
The IUPAC name of 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride (CID 119466546) is 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride is CC(C)C(C)C(=O)N1CCCCC1CN.Cl.
What is the InChIKey of 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride?
The InChIKey is STEGSPAFEOFDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)10(3)12(15)14-7-5-4-6-11(14)8-13;/h9-11H,4-8,13H2,1-3H3;1H.
What are the key properties of 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride?
1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)piperidin-1-yl]-2,3-dimethylbutan-1-one;hydrochloride is sourced from PubChem (CID 119466546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).