2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride

C16H32ClN3O — CID 119925999

IUPAC2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CC(C)CN(C(=O)CN2CCCC(C)C2CN)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-7-13(2)10-19(9-12)16(20)11-18-6-4-5-14(3)15(18)8-17;/h12-15H,4-11,17H2,1-3H3;1H
InChIKeyZHEUAJUZFCXPLP-UHFFFAOYSA-N
MW317.91 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119925999) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119925999
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC1CC(C)CN(C(=O)CN2CCCC(C)C2CN)C1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-12-7-13(2)10-19(9-12)16(20)11-18-6-4-5-14(3)15(18)8-17;/h12-15H,4-11,17H2,1-3H3;1H
InChIKeyZHEUAJUZFCXPLP-UHFFFAOYSA-N
XLogP1.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone;hydrochloride
CID 119926112
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119926190
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 102784643
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24697792
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-carbamoylpropanamide;hydrochloride
CID 119925915
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,3-dimethylcyclohexyl)acetamide;hydrochloride
CID 119925997
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119925901
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-methyl-N-phenylacetamide;hydrochloride
CID 119926165
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119916049
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide;hydrochloride
CID 119925971
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124776383

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride (CID 119925999) is 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride is CC1CC(C)CN(C(=O)CN2CCCC(C)C2CN)C1.Cl.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is ZHEUAJUZFCXPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-12-7-13(2)10-19(9-12)16(20)11-18-6-4-5-14(3)15(18)8-17;/h12-15H,4-11,17H2,1-3H3;1H.
What are the key properties of 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride?
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119925999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).