1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride

C16H25Cl2F3N2O — CID 171309375

IUPAC1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23F3N2O.2ClH/c1-2-3-7-15(21-10-8-20-9-11-21)13-5-4-6-14(12-13)22-16(17,18)19;;/h4-6,12,15,20H,2-3,7-11H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyDFVXVOFEAIQJSH-CKUXDGONSA-N
MW389.29 g/mol
LogP4.57
Rot. Bonds6

About 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride

1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride (PubChem CID 171309375) has the molecular formula C16H25Cl2F3N2O and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
PubChem CID171309375
Molecular FormulaC16H25Cl2F3N2O
Molecular Weight389.29 g/mol
Exact Mass388.13
IUPAC Name1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
SMILESCCCC[C@@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H23F3N2O.2ClH/c1-2-3-7-15(21-10-8-20-9-11-21)13-5-4-6-14(12-13)22-16(17,18)19;;/h4-6,12,15,20H,2-3,7-11H2,1H3;2*1H/t15-;;/m0../s1
InChIKeyDFVXVOFEAIQJSH-CKUXDGONSA-N
XLogP4.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171310343
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine;hydrochloride
CID 171172097
1-[(1R)-1-[3-(trifluoromethoxy)phenyl]hept-6-enyl]piperazine
CID 171172096
1-[(1S)-1-[4-(trifluoromethoxy)phenyl]hexyl]piperazine;dihydrochloride
CID 171309260
1-[(1R)-1-(3-ethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171307836
1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]pentyl]piperazine
CID 171167852
1-[(1R)-1-[3-bromo-5-(trifluoromethoxy)phenyl]hexyl]piperazine
CID 171171090
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride (CID 171309375) is 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride is CCCC[C@@H](c1cccc(OC(F)(F)F)c1)N1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
The InChIKey is DFVXVOFEAIQJSH-CKUXDGONSA-N. The full InChI is InChI=1S/C16H23F3N2O.2ClH/c1-2-3-7-15(21-10-8-20-9-11-21)13-5-4-6-14(12-13)22-16(17,18)19;;/h4-6,12,15,20H,2-3,7-11H2,1H3;2*1H/t15-;;/m0../s1.
What are the key properties of 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride?
1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride has a molecular weight of 389.29 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[3-(trifluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride is sourced from PubChem (CID 171309375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).