4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride

C10H21ClN2O — CID 83967303

IUPAC4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride
SMILESCC1CCN(CC(=O)CCN)CC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-9-3-6-12(7-4-9)8-10(13)2-5-11;/h9H,2-8,11H2,1H3;1H
InChIKeyANICJAFEFYIOPI-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.06
Rot. Bonds4

About 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride

4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride (PubChem CID 83967303) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride
PubChem CID83967303
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride
SMILESCC1CCN(CC(=O)CCN)CC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-9-3-6-12(7-4-9)8-10(13)2-5-11;/h9H,2-8,11H2,1H3;1H
InChIKeyANICJAFEFYIOPI-UHFFFAOYSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-1-(4-methylpiperidin-1-yl)butan-2-one
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ethane;2-(4-methylpiperidin-1-yl)ethanamine
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7-(4-methylpiperidin-1-yl)heptan-1-amine
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1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride?
The IUPAC name of 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride (CID 83967303) is 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride?
The canonical SMILES for 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride is CC1CCN(CC(=O)CCN)CC1.Cl.
What is the InChIKey of 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride?
The InChIKey is ANICJAFEFYIOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-9-3-6-12(7-4-9)8-10(13)2-5-11;/h9H,2-8,11H2,1H3;1H.
What are the key properties of 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride?
4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-methylpiperidin-1-yl)butan-2-one;hydrochloride is sourced from PubChem (CID 83967303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).