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

C13H26F3N3O — CID 64789498

IUPAC2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCCCNC(CO)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-2-4-17-12(10-20)3-5-18-6-8-19(9-7-18)11-13(14,15)16/h12,17,20H,2-11H2,1H3
InChIKeyGLELTCIDOYEXKP-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.92
Rot. Bonds8

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

2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (PubChem CID 64789498) has the molecular formula C13H26F3N3O and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
PubChem CID64789498
Molecular FormulaC13H26F3N3O
Molecular Weight297.37 g/mol
Exact Mass297.20
IUPAC Name2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol
SMILESCCCNC(CO)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3O/c1-2-4-17-12(10-20)3-5-18-6-8-19(9-7-18)11-13(14,15)16/h12,17,20H,2-11H2,1H3
InChIKeyGLELTCIDOYEXKP-UHFFFAOYSA-N
XLogP0.92
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
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-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol (CID 64789498) is 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is CCCNC(CO)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
The InChIKey is GLELTCIDOYEXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3O/c1-2-4-17-12(10-20)3-5-18-6-8-19(9-7-18)11-13(14,15)16/h12,17,20H,2-11H2,1H3.
What are the key properties of 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol?
2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 64789498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).