1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

C14H19Cl2F3N2 — CID 171172900

IUPAC1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCC[C@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C14H18ClF3N2.ClH/c1-2-13(20-5-3-19-4-6-20)10-7-11(14(16,17)18)9-12(15)8-10;/h7-9,13,19H,2-6H2,1H3;1H/t13-;/m1./s1
InChIKeyRAJXZINVRAYVAJ-BTQNPOSSSA-N
MW343.22 g/mol
LogP4.14
Rot. Bonds3

About 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171172900) has the molecular formula C14H19Cl2F3N2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
PubChem CID171172900
Molecular FormulaC14H19Cl2F3N2
Molecular Weight343.22 g/mol
Exact Mass342.09
IUPAC Name1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCC[C@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.Cl
InChIInChI=1S/C14H18ClF3N2.ClH/c1-2-13(20-5-3-19-4-6-20)10-7-11(14(16,17)18)9-12(15)8-10;/h7-9,13,19H,2-6H2,1H3;1H/t13-;/m1./s1
InChIKeyRAJXZINVRAYVAJ-BTQNPOSSSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171172924
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine
CID 171182810
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309701
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutyl]piperazine;hydrochloride
CID 171167566
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylbutyl]piperazine;dihydrochloride
CID 171305667
1-[(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171167520
1-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-fluoroethyl]piperazine;hydrochloride
CID 171181646
1-[(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279938
1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171165350
1-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171279095
1-[(R)-(5-chlorothiophen-2-yl)-[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 171181302

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (CID 171172900) is 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is CC[C@H](c1cc(Cl)cc(C(F)(F)F)c1)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The InChIKey is RAJXZINVRAYVAJ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H18ClF3N2.ClH/c1-2-13(20-5-3-19-4-6-20)10-7-11(14(16,17)18)9-12(15)8-10;/h7-9,13,19H,2-6H2,1H3;1H/t13-;/m1./s1.
What are the key properties of 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 343.22 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171172900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).