4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide

C15H20F3N3O2 — CID 71916532

IUPAC4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(CC(F)(F)F)c1)N1CCN(CCO)CC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)11-12-2-1-3-13(10-12)19-14(23)21-6-4-20(5-7-21)8-9-22/h1-3,10,22H,4-9,11H2,(H,19,23)
InChIKeyJVUFMRRLCZOWRD-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.93
Rot. Bonds4

About 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide

4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide (PubChem CID 71916532) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
PubChem CID71916532
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(CC(F)(F)F)c1)N1CCN(CCO)CC1
InChIInChI=1S/C15H20F3N3O2/c16-15(17,18)11-12-2-1-3-13(10-12)19-14(23)21-6-4-20(5-7-21)8-9-22/h1-3,10,22H,4-9,11H2,(H,19,23)
InChIKeyJVUFMRRLCZOWRD-UHFFFAOYSA-N
XLogP1.93
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
N-(3-fluorophenyl)-4-(3-hydroxypropyl)piperazine-1-carboxamide;hydroiodide
CID 173123175
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
4-butyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 17185768
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
4-methyl-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,4-diazepane-1-carboxamide
CID 75500148
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 3810723

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide (CID 71916532) is 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(CC(F)(F)F)c1)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is JVUFMRRLCZOWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c16-15(17,18)11-12-2-1-3-13(10-12)19-14(23)21-6-4-20(5-7-21)8-9-22/h1-3,10,22H,4-9,11H2,(H,19,23).
What are the key properties of 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 71916532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).