[3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol

C8H15F3N2O — CID 171101927

IUPAC[3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
SMILESNC1(CO)CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-3-1-2-7(12,4-13)6-14/h14H,1-6,12H2
InChIKeySMTWQUKPYMUANC-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.33
Rot. Bonds2

About [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol

[3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol (PubChem CID 171101927) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
PubChem CID171101927
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name[3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol
SMILESNC1(CO)CCCN(CC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-3-1-2-7(12,4-13)6-14/h14H,1-6,12H2
InChIKeySMTWQUKPYMUANC-UHFFFAOYSA-N
XLogP0.33
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol (CID 171101927) is [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol is NC1(CO)CCCN(CC(F)(F)F)C1.
What is the InChIKey of [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
The InChIKey is SMTWQUKPYMUANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)5-13-3-1-2-7(12,4-13)6-14/h14H,1-6,12H2.
What are the key properties of [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol?
[3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol has a molecular weight of 212.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 171101927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).