1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine

C16H23F3N2 — CID 171304266

IUPAC1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
SMILESCCC(C)[C@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-3-12(2)15(21-10-8-20-9-11-21)13-4-6-14(7-5-13)16(17,18)19/h4-7,12,15,20H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyRGOBWCJNFBTGME-WPZCJLIBSA-N
MW300.37 g/mol
LogP3.70
Rot. Bonds4

About 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine

1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine (PubChem CID 171304266) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
PubChem CID171304266
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
SMILESCCC(C)[C@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H23F3N2/c1-3-12(2)15(21-10-8-20-9-11-21)13-4-6-14(7-5-13)16(17,18)19/h4-7,12,15,20H,3,8-11H2,1-2H3/t12?,15-/m1/s1
InChIKeyRGOBWCJNFBTGME-WPZCJLIBSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]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

1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171162908
1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
CID 171304664
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305667
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[(1S)-2-methyl-1-(4-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304997
1-[(1R)-1-(4-fluoro-3-methylphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304499
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
CID 171304592
1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine
CID 171304796
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine (CID 171304266) is 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine is CCC(C)[C@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
The InChIKey is RGOBWCJNFBTGME-WPZCJLIBSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-12(2)15(21-10-8-20-9-11-21)13-4-6-14(7-5-13)16(17,18)19/h4-7,12,15,20H,3,8-11H2,1-2H3/t12?,15-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine?
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine is sourced from PubChem (CID 171304266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).