1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride

C12H25ClN2O — CID 119592618

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-9(2)12(15)14-7-5-6-11(8-14)10(3)13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyGANOUZFVPHQBGN-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.04
Rot. Bonds3

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride

1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride (PubChem CID 119592618) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
PubChem CID119592618
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-9(2)12(15)14-7-5-6-11(8-14)10(3)13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyGANOUZFVPHQBGN-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

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Related Compounds

1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbutanamide;hydrochloride
CID 119596599
1-[(3S)-3-ethylpiperidin-1-yl]propan-1-one;2-methyl-1-[(3S)-3-propan-2-ylpiperidin-1-yl]butan-1-one
CID 156718641

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride (CID 119592618) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride is CCC(C)C(=O)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
The InChIKey is GANOUZFVPHQBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-4-9(2)12(15)14-7-5-6-11(8-14)10(3)13;/h9-11H,4-8,13H2,1-3H3;1H.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-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-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 119592618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).