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

C14H27F3N2O — CID 83992145

IUPAC1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCCN1CC(CC(O)CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-5-19-8-11(7-13(20)4-2)6-12(9-19)18-10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3
InChIKeyBGOFPKDAWYOQNI-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.40
Rot. Bonds7

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

1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (PubChem CID 83992145) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.

Molecular Properties

Compound Name1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
PubChem CID83992145
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
SMILESCCCN1CC(CC(O)CC)CC(NCC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-5-19-8-11(7-13(20)4-2)6-12(9-19)18-10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3
InChIKeyBGOFPKDAWYOQNI-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

(1S)-1-[2-[2,2,2-trifluoro-1-(propan-2-ylamino)ethyl]cyclopropyl]ethanol
CID 163637378
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 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The IUPAC name of 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol (CID 83992145) is 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol.
What is the SMILES notation for 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The canonical SMILES for 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is CCCN1CC(CC(O)CC)CC(NCC(F)(F)F)C1.
What is the InChIKey of 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
The InChIKey is BGOFPKDAWYOQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-5-19-8-11(7-13(20)4-2)6-12(9-19)18-10-14(15,16)17/h11-13,18,20H,3-10H2,1-2H3.
What are the key properties of 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol?
1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol has a molecular weight of 296.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-propyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol is sourced from PubChem (CID 83992145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).