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

C10H19F3N2O — CID 81096659

IUPAC1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-9(16)3-6-15(7-4-9)8(2-5-14)10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyBADLKPUPKUBCEJ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.11
Rot. Bonds3

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

1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol (PubChem CID 81096659) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol
PubChem CID81096659
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(C(CCN)C(F)(F)F)CC1
InChIInChI=1S/C10H19F3N2O/c1-9(16)3-6-15(7-4-9)8(2-5-14)10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyBADLKPUPKUBCEJ-UHFFFAOYSA-N
XLogP1.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol (CID 81096659) is 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(C(CCN)C(F)(F)F)CC1.
What is the InChIKey of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol?
The InChIKey is BADLKPUPKUBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(16)3-6-15(7-4-9)8(2-5-14)10(11,12)13/h8,16H,2-7,14H2,1H3.
What are the key properties of 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol?
1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol has a molecular weight of 240.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1,1-trifluorobutan-2-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81096659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).