1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol

C13H23F3N2O — CID 65105930

IUPAC1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCN(CC(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-3-11(4-8-18)17-9-12(19)5-1-2-6-12/h11,17,19H,1-10H2
InChIKeyJWIZIDYYDWUMHD-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.91
Rot. Bonds4

About 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol

1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 65105930) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID65105930
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCN(CC(F)(F)F)CC2)CCCC1
InChIInChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-3-11(4-8-18)17-9-12(19)5-1-2-6-12/h11,17,19H,1-10H2
InChIKeyJWIZIDYYDWUMHD-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 65105930) is 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol is OC1(CNC2CCN(CC(F)(F)F)CC2)CCCC1.
What is the InChIKey of 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is JWIZIDYYDWUMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c14-13(15,16)10-18-7-3-11(4-8-18)17-9-12(19)5-1-2-6-12/h11,17,19H,1-10H2.
What are the key properties of 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol?
1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 280.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).