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

C13H25F3N2O — CID 61247005

IUPAC4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-10(2)7-12(8-19)17-11-3-5-18(6-4-11)9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyZYNLAJGMQQJOJK-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds6

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

4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol (PubChem CID 61247005) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
PubChem CID61247005
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol
SMILESCC(C)CC(CO)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-10(2)7-12(8-19)17-11-3-5-18(6-4-11)9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3
InChIKeyZYNLAJGMQQJOJK-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol (CID 61247005) is 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol is CC(C)CC(CO)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
The InChIKey is ZYNLAJGMQQJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-10(2)7-12(8-19)17-11-3-5-18(6-4-11)9-13(14,15)16/h10-12,17,19H,3-9H2,1-2H3.
What are the key properties of 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol?
4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol has a molecular weight of 282.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 61247005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).