1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine

C17H25F3N2O — CID 171310343

IUPAC1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
SMILESCC(C)CC[C@@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C17H25F3N2O/c1-13(2)6-7-16(22-10-8-21-9-11-22)14-4-3-5-15(12-14)23-17(18,19)20/h3-5,12-13,16,21H,6-11H2,1-2H3/t16-/m0/s1
InChIKeyJQGBTMLDQMWXTP-INIZCTEOSA-N
MW330.39 g/mol
LogP3.97
Rot. Bonds6

About 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine

1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine (PubChem CID 171310343) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
PubChem CID171310343
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
SMILESCC(C)CC[C@@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C17H25F3N2O/c1-13(2)6-7-16(22-10-8-21-9-11-22)14-4-3-5-15(12-14)23-17(18,19)20/h3-5,12-13,16,21H,6-11H2,1-2H3/t16-/m0/s1
InChIKeyJQGBTMLDQMWXTP-INIZCTEOSA-N
XLogP3.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171309375
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171308077
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hexyl]piperazine;hydrochloride
CID 171172081
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097
1-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-methylpentyl]piperazine;dihydrochloride
CID 171311036
1-[(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]propyl]piperazine
CID 171165847
1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
1-[(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 171293140
1-[(1R)-1-(3-bromophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310660
1-[(1S)-4-methyl-1-(3-phenylphenyl)pentyl]piperazine;dihydrochloride
CID 171310494
1-[(1R)-4,4,4-trifluoro-1-(3-propan-2-ylphenyl)butyl]piperazine
CID 171172679

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine?
The IUPAC name of 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine (CID 171310343) is 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine.
What is the SMILES notation for 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine?
The canonical SMILES for 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine is CC(C)CC[C@@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine?
The InChIKey is JQGBTMLDQMWXTP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-13(2)6-7-16(22-10-8-21-9-11-22)14-4-3-5-15(12-14)23-17(18,19)20/h3-5,12-13,16,21H,6-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine?
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine has a molecular weight of 330.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine is sourced from PubChem (CID 171310343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).