1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide

C18H22F3N3O2 — CID 142065736

IUPAC1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide
SMILESO=CNCC(F)(F)F.c1ccc(-c2ccc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C15H18N2O.C3H4F3NO/c1-2-4-13(5-3-1)15-7-6-14(18-15)12-17-10-8-16-9-11-17;4-3(5,6)1-7-2-8/h1-7,16H,8-12H2;2H,1H2,(H,7,8)
InChIKeyNYEKIHDUOKNIDC-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.65
Rot. Bonds5

About 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide

1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide (PubChem CID 142065736) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound Name1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide
PubChem CID142065736
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC Name1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide
SMILESO=CNCC(F)(F)F.c1ccc(-c2ccc(CN3CCNCC3)o2)cc1
InChIInChI=1S/C15H18N2O.C3H4F3NO/c1-2-4-13(5-3-1)15-7-6-14(18-15)12-17-10-8-16-9-11-17;4-3(5,6)1-7-2-8/h1-7,16H,8-12H2;2H,1H2,(H,7,8)
InChIKeyNYEKIHDUOKNIDC-UHFFFAOYSA-N
XLogP2.65
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methyl]piperazine
CID 141351583
(2S)-1-methyl-4-[(5-phenylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 142065834
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
5-(piperazin-1-ylmethyl)furan-2-amine
CID 82503886
1-[(5-ethylfuran-2-yl)methyl]piperazine
CID 62346737
(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 59108578
N-[4-[4-[(5-phenylfuran-2-yl)methyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 22762680
2-(5-phenylfuran-2-yl)acetaldehyde
CID 101495909
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065869
1-[[5-(4-nitrophenyl)furan-2-yl]methyl]-4-phenylpiperazine
CID 1375628
1-[(5-nitrofuran-2-yl)methyl]piperazine
CID 43143138
acetylene;(2S)-5-[4-[[5-(4-chlorophenyl)furan-2-yl]methyl]piperazin-1-yl]-2-(furo[2,3-c]pyridin-2-ylmethyl)-4-hydroxypentanamide;3,4-dihydro-2H-chromene;N-(2,2,2-trifluoroethyl)formamide
CID 142189533

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide (CID 142065736) is 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide is O=CNCC(F)(F)F.c1ccc(-c2ccc(CN3CCNCC3)o2)cc1.
What is the InChIKey of 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is NYEKIHDUOKNIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C3H4F3NO/c1-2-4-13(5-3-1)15-7-6-14(18-15)12-17-10-8-16-9-11-17;4-3(5,6)1-7-2-8/h1-7,16H,8-12H2;2H,1H2,(H,7,8).
What are the key properties of 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide?
1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 369.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenylfuran-2-yl)methyl]piperazine;N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 142065736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).