1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine

C16H23F3N2O — CID 171170906

IUPAC1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
SMILESCC(C)C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H23F3N2O/c1-12(2)11-15(21-9-7-20-8-10-21)13-3-5-14(6-4-13)22-16(17,18)19/h3-6,12,15,20H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyZRBBGFRQSRDJLP-OAHLLOKOSA-N
MW316.37 g/mol
LogP3.58
Rot. Bonds5

About 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine

1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine (PubChem CID 171170906) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
PubChem CID171170906
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine
SMILESCC(C)C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1
InChIInChI=1S/C16H23F3N2O/c1-12(2)11-15(21-9-7-20-8-10-21)13-3-5-14(6-4-13)22-16(17,18)19/h3-6,12,15,20H,7-11H2,1-2H3/t15-/m1/s1
InChIKeyZRBBGFRQSRDJLP-OAHLLOKOSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine;hydrochloride
CID 171171217
1-[(1R)-2-fluoro-1-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171182554
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]propyl]piperazine;dihydrochloride
CID 171279194
1-[(1S)-1-[4-(difluoromethoxy)phenyl]-3-methylbutyl]piperazine;dihydrochloride
CID 171278259
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
1-[(1S)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine
CID 171165767
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
trimethyl-[4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenoxy]silane
CID 171291668
2-[(1R)-3-methyl-1-piperazin-1-ylbutyl]-4-(trifluoromethoxy)phenol;dihydrochloride
CID 171293130
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171171119
1-[(1R)-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171170883
1-[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]piperazine
CID 171172366

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine?
The IUPAC name of 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine (CID 171170906) is 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine.
What is the SMILES notation for 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine?
The canonical SMILES for 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine is CC(C)C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine?
The InChIKey is ZRBBGFRQSRDJLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-12(2)11-15(21-9-7-20-8-10-21)13-3-5-14(6-4-13)22-16(17,18)19/h3-6,12,15,20H,7-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine?
1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine has a molecular weight of 316.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]piperazine is sourced from PubChem (CID 171170906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).