2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

C14H26F3N3O — CID 64790889

IUPAC2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCCNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H26F3N3O/c1-2-18-13(11-21,12-3-4-12)9-19-5-7-20(8-6-19)10-14(15,16)17/h12,18,21H,2-11H2,1H3
InChIKeyUHLJHMZPJKYYAN-UHFFFAOYSA-N
MW309.38 g/mol
LogP0.92
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (PubChem CID 64790889) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
PubChem CID64790889
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
SMILESCCNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H26F3N3O/c1-2-18-13(11-21,12-3-4-12)9-19-5-7-20(8-6-19)10-14(15,16)17/h12,18,21H,2-11H2,1H3
InChIKeyUHLJHMZPJKYYAN-UHFFFAOYSA-N
XLogP0.92
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol (CID 64790889) is 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is CCNC(CO)(CN1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
The InChIKey is UHLJHMZPJKYYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-2-18-13(11-21,12-3-4-12)9-19-5-7-20(8-6-19)10-14(15,16)17/h12,18,21H,2-11H2,1H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol has a molecular weight of 309.38 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 64790889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).