3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide

C10H19F3N4O — CID 103370591

IUPAC3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N4O/c11-10(12,13)8(9(14)15)7-17-3-1-16(2-4-17)5-6-18/h8,18H,1-7H2,(H3,14,15)
InChIKeyYJEBCFKDYPENAY-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.29
Rot. Bonds5

About 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide

3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide (PubChem CID 103370591) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
PubChem CID103370591
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCN(CCO)CC1)C(F)(F)F
InChIInChI=1S/C10H19F3N4O/c11-10(12,13)8(9(14)15)7-17-3-1-16(2-4-17)5-6-18/h8,18H,1-7H2,(H3,14,15)
InChIKeyYJEBCFKDYPENAY-UHFFFAOYSA-N
XLogP-0.29
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
CID 103369268
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626
3,3,3-Trifluoro-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]propanimidamide
CID 103370758
3,3,3-Trifluoro-2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]propanimidamide
CID 107223319
3-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2-methylpropanimidamide
CID 107480271
3-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methylpropanimidamide
CID 107480299
3,3,3-Trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
CID 107480312
2-[[Butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113808135
2-[[2,2-Difluoroethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113964401
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide (CID 103370591) is 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CCN(CCO)CC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide?
The InChIKey is YJEBCFKDYPENAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c11-10(12,13)8(9(14)15)7-17-3-1-16(2-4-17)5-6-18/h8,18H,1-7H2,(H3,14,15).
What are the key properties of 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide has a molecular weight of 268.28 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 103370591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).