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

C11H20F3N3O — CID 107227653

IUPAC3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)9(10(15)16)7-17-4-1-2-8(6-17)3-5-18/h8-9,18H,1-7H2,(H3,15,16)
InChIKeyGCVRSEDCJOBHGQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.20
Rot. Bonds5

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

3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide (PubChem CID 107227653) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
PubChem CID107227653
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC Name3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCCC(CCO)C1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O/c12-11(13,14)9(10(15)16)7-17-4-1-2-8(6-17)3-5-18/h8-9,18H,1-7H2,(H3,15,16)
InChIKeyGCVRSEDCJOBHGQ-UHFFFAOYSA-N
XLogP1.20
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-Trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103370562
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-Trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3,3,3-trifluoro-N'-hydroxy-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227566
3,3,3-Trifluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808114
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808129
2-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]piperidin-3-yl]ethanol
CID 113933517
4-[4-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133190
3-[4-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133191
3-[4-(Hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368124

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide (CID 107227653) is 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CCCC(CCO)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
The InChIKey is GCVRSEDCJOBHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c12-11(13,14)9(10(15)16)7-17-4-1-2-8(6-17)3-5-18/h8-9,18H,1-7H2,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide has a molecular weight of 267.29 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide is sourced from PubChem (CID 107227653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).