4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride

C11H20ClF3N2O2 — CID 66686907

IUPAC4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2.ClH/c12-11(13,14)8-18-9-3-6-16(7-4-9)10(17)2-1-5-15;/h9H,1-8,15H2;1H
InChIKeyIKRCNYNHLDZLNF-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.72
Rot. Bonds5

About 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride

4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 66686907) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID66686907
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC Name4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2.ClH/c12-11(13,14)8-18-9-3-6-16(7-4-9)10(17)2-1-5-15;/h9H,1-8,15H2;1H
InChIKeyIKRCNYNHLDZLNF-UHFFFAOYSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
1-[4-(3-aminopropoxy)piperidin-1-yl]-5-methylsulfanylpentan-1-one;hydrochloride
CID 119662263
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
4-amino-1-(3-fluoropyrrolidin-1-yl)butan-1-one
CID 83854045
4-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
4-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one
CID 75513595
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
7-amino-1-(4-propan-2-ylpiperidin-1-yl)heptan-1-one;hydrochloride
CID 119806012
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119663869
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride (CID 66686907) is 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride is Cl.NCCCC(=O)N1CCC(OCC(F)(F)F)CC1.
What is the InChIKey of 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is IKRCNYNHLDZLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c12-11(13,14)8-18-9-3-6-16(7-4-9)10(17)2-1-5-15;/h9H,1-8,15H2;1H.
What are the key properties of 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride?
4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(2,2,2-trifluoroethoxy)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 66686907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).