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

C15H27F3N2O — CID 83992553

IUPAC1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(C(C)C2CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-3-14(21)12-6-13(19-9-15(16,17)18)8-20(7-12)10(2)11-4-5-11/h10-14,19,21H,3-9H2,1-2H3
InChIKeyVWUURAWHXPITAC-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.40
Rot. Bonds6

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

1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (PubChem CID 83992553) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
PubChem CID83992553
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC(F)(F)F)CN(C(C)C2CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-3-14(21)12-6-13(19-9-15(16,17)18)8-20(7-12)10(2)11-4-5-11/h10-14,19,21H,3-9H2,1-2H3
InChIKeyVWUURAWHXPITAC-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

1-[1-(1-cyclobutylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992572
1-[1-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992705
1-[1-cyclopropyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995239
1-[5-(cyclopropylamino)-1-(1-cyclopropylethyl)piperidin-3-yl]ethanol
CID 83991863
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
1-[1-(cyclobutylmethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992583
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992203
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
1-[5-(benzylamino)-1-propan-2-ylpiperidin-3-yl]propan-1-ol
CID 83993606
1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidine-3-carboxylic acid
CID 83995339
3-[1-butan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992434

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol (CID 83992553) is 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC(F)(F)F)CN(C(C)C2CC2)C1.
What is the InChIKey of 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
The InChIKey is VWUURAWHXPITAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-14(21)12-6-13(19-9-15(16,17)18)8-20(7-12)10(2)11-4-5-11/h10-14,19,21H,3-9H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol?
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol has a molecular weight of 308.39 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-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 83992553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).