[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol

C8H15F3N2O — CID 61245221

IUPAC[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCNCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7/h12-14H,1-6H2
InChIKeyQWUVTCAQGRBOIM-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.25
Rot. Bonds3

About [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol

[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (PubChem CID 61245221) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
PubChem CID61245221
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol
SMILESOCC1(NCC(F)(F)F)CCNCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7/h12-14H,1-6H2
InChIKeyQWUVTCAQGRBOIM-UHFFFAOYSA-N
XLogP0.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The IUPAC name of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol (CID 61245221) is [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is OCC1(NCC(F)(F)F)CCNCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
The InChIKey is QWUVTCAQGRBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)5-13-7(6-14)1-3-12-4-2-7/h12-14H,1-6H2.
What are the key properties of [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol?
[4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol has a molecular weight of 212.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 61245221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).