1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride

C9H16ClF3N2O — CID 119592411

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(F)(F)F)CCC1N.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-6-5-14(3-2-7(6)13)8(15)4-9(10,11)12;/h6-7H,2-5,13H2,1H3;1H
InChIKeyVXXBBAUCBIEROP-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.56
Rot. Bonds1

About 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride

1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride (PubChem CID 119592411) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
PubChem CID119592411
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
SMILESCC1CN(C(=O)CC(F)(F)F)CCC1N.Cl
InChIInChI=1S/C9H15F3N2O.ClH/c1-6-5-14(3-2-7(6)13)8(15)4-9(10,11)12;/h6-7H,2-5,13H2,1H3;1H
InChIKeyVXXBBAUCBIEROP-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

Analyze 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride with MolForge

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
CID 71757060
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
1-(3-chloropyrrolidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 63397799
(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119637247
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
1-(2,6-dimethylmorpholin-4-yl)-3,3,3-trifluoropropan-1-one
CID 51076738
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride (CID 119592411) is 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride is CC1CN(C(=O)CC(F)(F)F)CCC1N.Cl.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride?
The InChIKey is VXXBBAUCBIEROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c1-6-5-14(3-2-7(6)13)8(15)4-9(10,11)12;/h6-7H,2-5,13H2,1H3;1H.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride?
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-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-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride is sourced from PubChem (CID 119592411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).