4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol

C11H19F3N2O — CID 55048343

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESOC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16(9-1-2-9)7-10(17)3-5-15-6-4-10/h9,15,17H,1-8H2
InChIKeyZBMGCFDQTPIGJL-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.13
Rot. Bonds4

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (PubChem CID 55048343) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
PubChem CID55048343
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol
SMILESOC1(CN(CC(F)(F)F)C2CC2)CCNCC1
InChIInChI=1S/C11H19F3N2O/c12-11(13,14)8-16(9-1-2-9)7-10(17)3-5-15-6-4-10/h9,15,17H,1-8H2
InChIKeyZBMGCFDQTPIGJL-UHFFFAOYSA-N
XLogP1.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol (CID 55048343) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is OC1(CN(CC(F)(F)F)C2CC2)CCNCC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
The InChIKey is ZBMGCFDQTPIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c12-11(13,14)8-16(9-1-2-9)7-10(17)3-5-15-6-4-10/h9,15,17H,1-8H2.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol has a molecular weight of 252.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 55048343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).