1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine

C19H28F3N3O — CID 77088709

IUPAC1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine
SMILESCN1CCN(CC2CCCN(Cc3ccccc3OC(F)(F)F)C2)CC1
InChIInChI=1S/C19H28F3N3O/c1-23-9-11-24(12-10-23)13-16-5-4-8-25(14-16)15-17-6-2-3-7-18(17)26-19(20,21)22/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyQOLLJRGAIANNPW-UHFFFAOYSA-N
MW371.45 g/mol
LogP3.04
Rot. Bonds5

About 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine

1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine (PubChem CID 77088709) has the molecular formula C19H28F3N3O and a molecular weight of 371.45 g/mol. Its IUPAC name is 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine
PubChem CID77088709
Molecular FormulaC19H28F3N3O
Molecular Weight371.45 g/mol
Exact Mass371.22
IUPAC Name1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine
SMILESCN1CCN(CC2CCCN(Cc3ccccc3OC(F)(F)F)C2)CC1
InChIInChI=1S/C19H28F3N3O/c1-23-9-11-24(12-10-23)13-16-5-4-8-25(14-16)15-17-6-2-3-7-18(17)26-19(20,21)22/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyQOLLJRGAIANNPW-UHFFFAOYSA-N
XLogP3.04
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 166194807
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
1-[1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975773
(3aR,5R,6R,7aS)-6-(4-methylpiperazin-1-yl)-2-[[2-(trifluoromethoxy)phenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172660698
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
(1R,5S)-6-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 77080098
1-[[2-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 61057074
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
CID 99945758
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42394249

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine (CID 77088709) is 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine is CN1CCN(CC2CCCN(Cc3ccccc3OC(F)(F)F)C2)CC1.
What is the InChIKey of 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine?
The InChIKey is QOLLJRGAIANNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O/c1-23-9-11-24(12-10-23)13-16-5-4-8-25(14-16)15-17-6-2-3-7-18(17)26-19(20,21)22/h2-3,6-7,16H,4-5,8-15H2,1H3.
What are the key properties of 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine?
1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine has a molecular weight of 371.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 77088709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).