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

C14H27F3N2O — CID 83992222

IUPAC1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C14H27F3N2O/c1-4-13(20)6-11-5-12(18-9-14(15,16)17)8-19(7-11)10(2)3/h10-13,18,20H,4-9H2,1-3H3
InChIKeyNTHPXDKEQZPPHD-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds6

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

1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992222) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992222
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(C(C)C)C1
InChIInChI=1S/C14H27F3N2O/c1-4-13(20)6-11-5-12(18-9-14(15,16)17)8-19(7-11)10(2)3/h10-13,18,20H,4-9H2,1-3H3
InChIKeyNTHPXDKEQZPPHD-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-propan-2-yl-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-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992222) is 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(F)(F)F)CN(C(C)C)C1.
What is the InChIKey of 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is NTHPXDKEQZPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-4-13(20)6-11-5-12(18-9-14(15,16)17)8-19(7-11)10(2)3/h10-13,18,20H,4-9H2,1-3H3.
What are the key properties of 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).