3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol

C10H20F3N3O — CID 64899600

IUPAC3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCC(N)C(CO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O/c1-8(14)9(6-17)16-4-2-15(3-5-16)7-10(11,12)13/h8-9,17H,2-7,14H2,1H3
InChIKeyCPMSKEIMQBQJLN-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.13
Rot. Bonds4

About 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol

3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 64899600) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID64899600
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCC(N)C(CO)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H20F3N3O/c1-8(14)9(6-17)16-4-2-15(3-5-16)7-10(11,12)13/h8-9,17H,2-7,14H2,1H3
InChIKeyCPMSKEIMQBQJLN-UHFFFAOYSA-N
XLogP-0.13
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (CID 64899600) is 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is CC(N)C(CO)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is CPMSKEIMQBQJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-8(14)9(6-17)16-4-2-15(3-5-16)7-10(11,12)13/h8-9,17H,2-7,14H2,1H3.
What are the key properties of 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 255.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64899600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).