1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol

C10H19F3N2O — CID 114677836

IUPAC1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol
SMILESCC(N)C(N1CCC(O)C(C)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-6-5-15(4-3-8(6)16)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3
InChIKeyWRVFFNDMHNSECZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.97
Rot. Bonds2

About 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol

1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol (PubChem CID 114677836) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol
PubChem CID114677836
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol
SMILESCC(N)C(N1CCC(O)C(C)C1)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-6-5-15(4-3-8(6)16)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3
InChIKeyWRVFFNDMHNSECZ-UHFFFAOYSA-N
XLogP0.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperidin-4-ol
CID 114677908
2-(4-hydroxy-3-methylpiperidin-1-yl)propanenitrile
CID 114502562
N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
CID 104940928
4-(4-hydroxy-3-methylpiperidin-1-yl)pentanehydrazide
CID 114683804
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
(3S,4R)-1-amino-3-methylpiperidin-4-ol
CID 129445696
[1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidin-3-yl]methanol
CID 112624471
1,1,1-trifluoro-2-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103505235
1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
CID 114081754
1-[2-amino-1-(5-bromothiophen-2-yl)butyl]-3-methylpiperidin-4-ol
CID 114677962
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol (CID 114677836) is 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol is CC(N)C(N1CCC(O)C(C)C1)C(F)(F)F.
What is the InChIKey of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol?
The InChIKey is WRVFFNDMHNSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-6-5-15(4-3-8(6)16)9(7(2)14)10(11,12)13/h6-9,16H,3-5,14H2,1-2H3.
What are the key properties of 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol?
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol has a molecular weight of 240.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).