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

C15H29F3N2O — CID 83992146

IUPAC3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCCN1CC(CC(O)C(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-4-5-20-8-12(7-14(21)11(2)3)6-13(9-20)19-10-15(16,17)18/h11-14,19,21H,4-10H2,1-3H3
InChIKeyIVSHIJJLBSKESK-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.65
Rot. Bonds7

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

3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992146) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992146
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCCN1CC(CC(O)C(C)C)CC(NCC(F)(F)F)C1
InChIInChI=1S/C15H29F3N2O/c1-4-5-20-8-12(7-14(21)11(2)3)6-13(9-20)19-10-15(16,17)18/h11-14,19,21H,4-10H2,1-3H3
InChIKeyIVSHIJJLBSKESK-UHFFFAOYSA-N
XLogP2.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-Fluoropiperidin-2-yl)piperidin-4-yl]methanol
CID 137455298
2-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992066
3-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992075
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992076
1-[1-Methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992077
3-Methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
3,3-Dimethyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992079
1-Cyclopropyl-2-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992080
2-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992105
3-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992112
1-[1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992114

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992146) is 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCCN1CC(CC(O)C(C)C)CC(NCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is IVSHIJJLBSKESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-5-20-8-12(7-14(21)11(2)3)6-13(9-20)19-10-15(16,17)18/h11-14,19,21H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 310.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).