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

C15H29F3N2O — CID 83992167

IUPAC1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(CC(C)C)C1
InChIInChI=1S/C15H29F3N2O/c1-4-14(21)6-12-5-13(19-10-15(16,17)18)9-20(8-12)7-11(2)3/h11-14,19,21H,4-10H2,1-3H3
InChIKeyHNWMAOFTUOJAJN-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.65
Rot. Bonds7

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

1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992167) has the molecular formula C15H29F3N2O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992167
Molecular FormulaC15H29F3N2O
Molecular Weight310.40 g/mol
Exact Mass310.22
IUPAC Name1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCC(O)CC1CC(NCC(F)(F)F)CN(CC(C)C)C1
InChIInChI=1S/C15H29F3N2O/c1-4-14(21)6-12-5-13(19-10-15(16,17)18)9-20(8-12)7-11(2)3/h11-14,19,21H,4-10H2,1-3H3
InChIKeyHNWMAOFTUOJAJN-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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992167) is 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCC(O)CC1CC(NCC(F)(F)F)CN(CC(C)C)C1.
What is the InChIKey of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is HNWMAOFTUOJAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2O/c1-4-14(21)6-12-5-13(19-10-15(16,17)18)9-20(8-12)7-11(2)3/h11-14,19,21H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-(2-methylpropyl)-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 1-[1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).