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

C7H13F3N2O — CID 174355449

IUPAC[1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol
SMILESNN1CCC(CO)CC1C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)6-3-5(4-13)1-2-12(6)11/h5-6,13H,1-4,11H2
InChIKeyFVHOXRKLNAVPNW-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.50
Rot. Bonds1

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

[1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol (PubChem CID 174355449) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol
PubChem CID174355449
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name[1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol
SMILESNN1CCC(CO)CC1C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c8-7(9,10)6-3-5(4-13)1-2-12(6)11/h5-6,13H,1-4,11H2
InChIKeyFVHOXRKLNAVPNW-UHFFFAOYSA-N
XLogP0.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol (CID 174355449) is [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol is NN1CCC(CO)CC1C(F)(F)F.
What is the InChIKey of [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol?
The InChIKey is FVHOXRKLNAVPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c8-7(9,10)6-3-5(4-13)1-2-12(6)11/h5-6,13H,1-4,11H2.
What are the key properties of [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol?
[1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol has a molecular weight of 198.19 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 174355449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).