1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride

C17H26ClF3N2 — CID 171162908

IUPAC1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1.Cl
InChIInChI=1S/C17H25F3N2.ClH/c1-3-4-13(2)16(22-11-9-21-10-12-22)14-5-7-15(8-6-14)17(18,19)20;/h5-8,13,16,21H,3-4,9-12H2,1-2H3;1H/t13?,16-;/m0./s1
InChIKeyRCDUILSVSLSETF-GPPWNDLUSA-N
MW350.86 g/mol
LogP4.51
Rot. Bonds5

About 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride

1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride (PubChem CID 171162908) has the molecular formula C17H26ClF3N2 and a molecular weight of 350.86 g/mol. Its IUPAC name is 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
PubChem CID171162908
Molecular FormulaC17H26ClF3N2
Molecular Weight350.86 g/mol
Exact Mass350.17
IUPAC Name1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
SMILESCCCC(C)[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1.Cl
InChIInChI=1S/C17H25F3N2.ClH/c1-3-4-13(2)16(22-11-9-21-10-12-22)14-5-7-15(8-6-14)17(18,19)20;/h5-8,13,16,21H,3-4,9-12H2,1-2H3;1H/t13?,16-;/m0./s1
InChIKeyRCDUILSVSLSETF-GPPWNDLUSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
1-[(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170523
1-[(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171167614
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171166477
1-[(1R)-1-[3-methoxy-5-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine
CID 171171154
1-[(1R)-1-(3-fluoro-4-methylphenyl)-2-methylpentyl]piperazine;hydrochloride
CID 171169689
1-[(1S)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine;dihydrochloride
CID 171308640
1-[(1S)-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine
CID 171162894
1-[(1R)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171170836
1-[(1R)-1-[4-(trifluoromethyl)phenyl]hexyl]piperazine
CID 171168374
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-methylpentyl]piperazine
CID 171168893
1-[(1S)-1-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpentyl]piperazine;hydrochloride
CID 171165396

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride (CID 171162908) is 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride is CCCC(C)[C@@H](c1ccc(C(F)(F)F)cc1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
The InChIKey is RCDUILSVSLSETF-GPPWNDLUSA-N. The full InChI is InChI=1S/C17H25F3N2.ClH/c1-3-4-13(2)16(22-11-9-21-10-12-22)14-5-7-15(8-6-14)17(18,19)20;/h5-8,13,16,21H,3-4,9-12H2,1-2H3;1H/t13?,16-;/m0./s1.
What are the key properties of 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride?
1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride has a molecular weight of 350.86 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride is sourced from PubChem (CID 171162908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).