6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine

C22H27F3N4 — CID 91147254

IUPAC6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESFC(F)(F)c1ccc(C[C@@H]2CN(CCN3CCc4ncccc4C3)CCN2)cc1
InChIInChI=1S/C22H27F3N4/c23-22(24,25)19-5-3-17(4-6-19)14-20-16-29(11-9-26-20)13-12-28-10-7-21-18(15-28)2-1-8-27-21/h1-6,8,20,26H,7,9-16H2/t20-/m1/s1
InChIKeyVQGMYEKNPPYAHS-HXUWFJFHSA-N
MW404.48 g/mol
LogP2.97
Rot. Bonds5

About 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine

6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 91147254) has the molecular formula C22H27F3N4 and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID91147254
Molecular FormulaC22H27F3N4
Molecular Weight404.48 g/mol
Exact Mass404.22
IUPAC Name6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESFC(F)(F)c1ccc(C[C@@H]2CN(CCN3CCc4ncccc4C3)CCN2)cc1
InChIInChI=1S/C22H27F3N4/c23-22(24,25)19-5-3-17(4-6-19)14-20-16-29(11-9-26-20)13-12-28-10-7-21-18(15-28)2-1-8-27-21/h1-6,8,20,26H,7,9-16H2/t20-/m1/s1
InChIKeyVQGMYEKNPPYAHS-HXUWFJFHSA-N
XLogP2.97
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 91102171
[(2R)-2-[(4-chlorophenyl)methyl]-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]piperazin-1-yl]-[3-(methylamino)-5-(trifluoromethyl)phenyl]methanone
CID 91480488
2-[3-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethanamine
CID 126503578
3-benzyl-1-(2-phenylethyl)piperazine
CID 64832904
3-benzyl-1-octylpiperazine
CID 64833102
1-benzyl-3-[(4-fluorophenyl)methyl]piperazine
CID 18703475
3-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methylpiperazine
CID 116991840
3-benzyl-1-[(6-methyl-3-pyridinyl)methyl]piperazine
CID 64953194
[3,5-bis(trifluoromethyl)phenyl]-[(2R)-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-[[3-(2-methoxyethoxymethoxy)-4-methylphenyl]methyl]piperazin-1-yl]methanone
CID 87824889
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
3-(difluoromethoxymethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 175156494

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 91147254) is 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine is FC(F)(F)c1ccc(C[C@@H]2CN(CCN3CCc4ncccc4C3)CCN2)cc1.
What is the InChIKey of 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is VQGMYEKNPPYAHS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27F3N4/c23-22(24,25)19-5-3-17(4-6-19)14-20-16-29(11-9-26-20)13-12-28-10-7-21-18(15-28)2-1-8-27-21/h1-6,8,20,26H,7,9-16H2/t20-/m1/s1.
What are the key properties of 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine?
6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 404.48 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3R)-3-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 91147254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).