2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride

C12H26ClN3O — CID 119915902

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)CN1CCCC(CN)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-10(2)7-14-12(16)9-15-5-3-4-11(6-13)8-15;/h10-11H,3-9,13H2,1-2H3,(H,14,16);1H
InChIKeyKEPFZXZTOQETIY-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.85
Rot. Bonds5

About 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride

2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride (PubChem CID 119915902) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
PubChem CID119915902
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
SMILESCC(C)CNC(=O)CN1CCCC(CN)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-10(2)7-14-12(16)9-15-5-3-4-11(6-13)8-15;/h10-11H,3-9,13H2,1-2H3,(H,14,16);1H
InChIKeyKEPFZXZTOQETIY-UHFFFAOYSA-N
XLogP0.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
N-(2-methylpropyl)-2-[3-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849503
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
N-(2-methylpropyl)-2-[3-[(propan-2-ylsulfonylamino)methyl]piperidin-1-yl]acetamide
CID 49449909
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
2-[3-(aminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119915605
2-[3-(aminomethyl)piperidin-1-yl]-N-tert-butylacetamide
CID 43186946
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 94209171
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 78930704
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119927689

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride (CID 119915902) is 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride is CC(C)CNC(=O)CN1CCCC(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride?
The InChIKey is KEPFZXZTOQETIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c1-10(2)7-14-12(16)9-15-5-3-4-11(6-13)8-15;/h10-11H,3-9,13H2,1-2H3,(H,14,16);1H.
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride?
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119915902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).