1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride

C9H16ClF3N2O — CID 119377592

IUPAC1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCCC(N)C1)C(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-6(9(10,11)12)8(15)14-4-2-3-7(13)5-14;/h6-7H,2-5,13H2,1H3;1H
InChIKeyGWMRGZFUKPMJOY-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.56
Rot. Bonds1

About 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride (PubChem CID 119377592) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
PubChem CID119377592
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC Name1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCCC(N)C1)C(F)(F)F.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-6(9(10,11)12)8(15)14-4-2-3-7(13)5-14;/h6-7H,2-5,13H2,1H3;1H
InChIKeyGWMRGZFUKPMJOY-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119934179
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
CID 165442334
2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536813
3,3,3-trifluoro-2-methyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 119413662
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
3-aminopiperidine-1-carboxamide;hydrochloride
CID 141463917
3-amino-1-(3-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;hydrochloride
CID 130637170
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 124593410
[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595294
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride (CID 119377592) is 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride is CC(C(=O)N1CCCC(N)C1)C(F)(F)F.Cl.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride?
The InChIKey is GWMRGZFUKPMJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c1-6(9(10,11)12)8(15)14-4-2-3-7(13)5-14;/h6-7H,2-5,13H2,1H3;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119377592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).