1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

C15H29F3N2O — CID 83992181

IUPAC1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCCCN1CC(CC(O)CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-3-5-6-20-9-12(8-14(21)4-2)7-13(10-20)19-11-15(16,17)18/h12-14,19,21H,3-11H2,1-2H3
InChIKeyPXTYWOBIDCTZGG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.79
Rot. Bonds8

About 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol

1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992181) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992181
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCCCN1CC(CC(O)CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-3-5-6-20-9-12(8-14(21)4-2)7-13(10-20)19-11-15(16,17)18/h12-14,19,21H,3-11H2,1-2H3
InChIKeyPXTYWOBIDCTZGG-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992181) is 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCCCN1CC(CC(O)CC)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is PXTYWOBIDCTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-3-5-6-20-9-12(8-14(21)4-2)7-13(10-20)19-11-15(16,17)18/h12-14,19,21H,3-11H2,1-2H3.
What are the key properties of 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).