amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol

C8H15F3N2O — CID 71048077

IUPACamino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol
SMILESNC(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-3-1-6(2-4-13)7(12)14/h6-7,14H,1-5,12H2
InChIKeyDYPGNKXNLSRCFW-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.54
Rot. Bonds2

About amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol

amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol (PubChem CID 71048077) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Nameamino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol
PubChem CID71048077
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Nameamino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol
SMILESNC(O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-3-1-6(2-4-13)7(12)14/h6-7,14H,1-5,12H2
InChIKeyDYPGNKXNLSRCFW-UHFFFAOYSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol?
The IUPAC name of amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol (CID 71048077) is amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol.
What is the SMILES notation for amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol?
The canonical SMILES for amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol is NC(O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol?
The InChIKey is DYPGNKXNLSRCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)5-13-3-1-6(2-4-13)7(12)14/h6-7,14H,1-5,12H2.
What are the key properties of amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol?
amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol has a molecular weight of 212.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 71048077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).